============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/configfile.txt ============================================================================= ----------------------------------------------------------------------------- Warning: Non-parallel version of QRNA cannot spawn threads. Warning: More threads than cores available. Parameters to be used: Number of minimization steps (NSTEPS): 5000 Golden section step sizes: maximal (MAXSTEP): 0.0001 minimal (MINSTEP): 1e-08 Verbosity (VERBOSE): 1 Write output every: 100 steps (WRITEFREQ) Record trajectory (TRAJECTORY): disabled Pedantic treatment of molecules (PEDANTICMOL): disabled Van der Waals cutoff radius (CUTOFF): 12 Born generalized solvent (USEBORN): disabled Constraints on secondary struct. (SSCONSTR): enabled Auto-detection of secondary struct. (SSDETECT): enabled Secondary structure (SECSTRUCT): none specified Hydrogen bonds (HBONDS): enabled Electrostatics (ELECTR): enabled van der Waals interactions (VANDERWAALS): enabled Anti-blow-up protection (BLOWGUARD): enabled Occupancy as positional restraint (POSRESTRAINTS): disabled Restraints description (RESTRFILE): none Number of parallel threads: 1 ----------------------------------------------------------------------------- Internal Warning: unknown atom type(s) in bond: C2 H5 Internal Warning: unknown atom type(s) in bond: C2 N* Internal Warning: unknown atom type(s) in bond: C2 NB Internal Warning: unknown atom type(s) in bond: C C1 Internal Warning: unknown atom type(s) in bond: CA C1 Internal Warning: unknown atom type(s) in bond: C1 C1 Internal Warning: unknown atom type(s) in bond: C1 CT Internal Warning: unknown atom type(s) in bond: C1 HA Internal Warning: unknown atom type(s) in bond: C1 H4 Internal Warning: unknown atom type(s) in bond: C1 N* Internal Warning: unknown atoms in angle: H5 C2 N* Internal Warning: unknown atoms in angle: H5 C2 NB Internal Warning: unknown atoms in angle: N* C2 NB Internal Warning: unknown atoms in angle: CB N* C2 Internal Warning: unknown atoms in angle: C2 N* CT Internal Warning: unknown atoms in angle: CB NB C2 Internal Warning: unknown atoms in angle: C1 C NA Internal Warning: unknown atoms in angle: C1 C O Internal Warning: unknown atoms in angle: C1 CA N2 Internal Warning: unknown atoms in angle: C1 CA NC Internal Warning: unknown atoms in angle: C C1 C1 Internal Warning: unknown atoms in angle: C C1 CT Internal Warning: unknown atoms in angle: C C1 HA Internal Warning: unknown atoms in angle: C C1 H4 Internal Warning: unknown atoms in angle: CA C1 C1 Internal Warning: unknown atoms in angle: CA C1 HA Internal Warning: unknown atoms in angle: CA C1 H4 Internal Warning: unknown atoms in angle: C1 C1 CT Internal Warning: unknown atoms in angle: C1 C1 HA Internal Warning: unknown atoms in angle: C1 C1 H4 Internal Warning: unknown atoms in angle: C1 C1 N* Internal Warning: unknown atoms in angle: H4 C1 N* Internal Warning: unknown atoms in angle: H1 CT C1 Internal Warning: unknown atoms in angle: HC CT C1 Internal Warning: unknown atoms in angle: C N* C1 Internal Warning: unknown atoms in angle: C1 N* CT Internal Warning: unknown atom(s) in dihedral: X C2 N* X Internal Warning: unknown atom(s) in dihedral: X C2 NB X Internal Warning: unknown atom(s) in dihedral: X C C1 X Internal Warning: unknown atom(s) in dihedral: X CA C1 X Internal Warning: unknown atom(s) in dihedral: X C1 C1 X Internal Warning: unknown atom(s) in dihedral: X C1 CT X Internal Warning: unknown atom(s) in dihedral: X C1 N* X Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in improper: C C1 N* CT Internal Warning: unknown atom(s) in improper: C C1 C1 CT Internal Warning: unknown atom(s) in improper: C1 N2 CA NC Initializing... Generic atom descriptions read: 47 Generic bond descriptions read: 199 Generic angle descriptions read: 567 Generic dihedral descriptions read: 812 Generic improper descriptions read: 116 Generic vdW descriptions read: 47 ----------------------------------------------------------------------------- ============================================================================= Reading PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna.pdb ============================================================================= Atom's 1 N1 residue renamed to RU5 Atom's 2 C4 residue renamed to RU5 Atom's 3 N3 residue renamed to RU5 Atom's 4 O2 residue renamed to RU5 Atom's 5 C2 residue renamed to RU5 Atom's 6 C5 residue renamed to RU5 Atom's 7 C6 residue renamed to RU5 Atom's 8 O4 residue renamed to RU5 Atom's 9 C1' residue renamed to RU5 Atom's 10 C4' residue renamed to RU5 Atom's 11 O4' residue renamed to RU5 Atom's 12 C2' residue renamed to RU5 Atom's 13 C5' residue renamed to RU5 Atom's 14 C3' residue renamed to RU5 Atom's 15 O3' residue renamed to RU5 Atom's 16 O2' residue renamed to RU5 Atom's 510 O2' residue renamed to RA3 Atom's 509 O3' residue renamed to RA3 Atom's 508 C3' residue renamed to RA3 Atom's 507 C5' residue renamed to RA3 Atom's 506 C2' residue renamed to RA3 Atom's 505 O4' residue renamed to RA3 Atom's 504 C4' residue renamed to RA3 Atom's 503 C1' residue renamed to RA3 Atom's 502 N7 residue renamed to RA3 Atom's 501 C6 residue renamed to RA3 Atom's 500 C5 residue renamed to RA3 Atom's 499 C2 residue renamed to RA3 Atom's 498 C8 residue renamed to RA3 Atom's 497 N6 residue renamed to RA3 Atom's 496 N9 residue renamed to RA3 Atom's 495 N3 residue renamed to RA3 Atom's 494 C4 residue renamed to RA3 Atom's 493 N1 residue renamed to RA3 Missing atom added: ATOM 2 O5' RU5 B 0 264.035 149.909 258.430 1.00 0.00 O Missing atom added: ATOM 21 H4' RU5 B 0 264.668 148.325 255.612 1.00 0.00 H Missing atom added: ATOM 19 H5'1 RU5 B 0 265.126 148.272 257.930 1.00 0.00 H Missing atom added: ATOM 20 H5'2 RU5 B 0 265.564 149.867 257.095 1.00 0.00 H Missing atom added: ATOM 22 H3' RU5 B 0 262.908 150.725 256.131 1.00 0.00 H Missing atom added: ATOM 25 H1' RU5 B 0 261.376 147.311 255.402 1.00 0.00 H Missing atom added: ATOM 23 H2' RU5 B 0 261.447 149.875 254.384 1.00 0.00 H Missing atom added: ATOM 24 HO'2 RU5 B 0 263.549 148.667 253.528 1.00 0.00 H Missing atom added: ATOM 27 H6 RU5 B 0 260.341 148.837 256.860 1.00 0.00 H Missing atom added: ATOM 28 H3 RU5 B 0 258.553 153.357 255.400 1.00 0.00 H Missing atom added: ATOM 26 H5 RU5 B 0 258.038 149.185 257.390 1.00 0.00 H Missing atom added: ATOM 4 O5' C B 1 261.522 154.177 253.535 1.00 0.00 O Missing atom added: ATOM 23 H4' C B 1 259.550 151.751 254.574 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 1 259.973 154.060 254.843 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 1 261.435 152.967 255.163 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 1 261.764 151.734 252.506 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 1 258.218 151.659 251.319 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 1 260.538 150.204 251.193 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 1 259.330 149.566 253.346 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 1 261.123 153.402 253.581 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 1 263.088 157.275 254.957 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 1 261.910 157.895 256.035 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 1 263.214 154.956 253.760 1.00 0.00 H Missing atom added: ATOM 4 O5' A B 2 261.580 155.570 250.607 1.00 0.00 O Missing atom added: ATOM 25 H4' A B 2 258.390 155.594 251.425 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 2 260.533 155.080 252.276 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 2 260.093 154.191 250.710 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 2 259.720 156.445 248.859 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 2 258.326 159.024 251.356 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 2 258.059 158.182 248.669 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 2 256.594 156.690 250.090 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 2 260.521 161.354 253.625 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 2 258.756 160.369 257.484 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 2 257.742 159.107 258.029 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 2 257.465 155.625 254.792 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 3 258.485 158.974 245.993 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 3 257.523 162.093 246.429 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 3 257.047 159.879 247.102 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 3 256.999 160.153 245.271 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 3 259.785 160.977 244.767 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 3 260.470 162.829 248.051 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 3 261.035 162.978 245.316 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 3 258.754 164.064 245.675 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 3 260.842 162.849 247.249 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 3 254.746 162.631 245.330 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 3 256.074 159.164 244.668 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 3 255.071 160.407 244.167 1.00 0.00 H Missing atom added: ATOM 4 O5' C B 4 262.233 162.327 243.179 1.00 0.00 O Missing atom added: ATOM 23 H4' C B 4 264.375 164.830 243.209 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 4 262.351 164.091 244.178 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 4 262.335 164.166 242.326 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 4 264.442 162.203 241.700 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 4 266.696 162.617 244.656 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 4 266.784 162.100 241.966 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 4 266.703 164.630 242.274 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 4 264.178 161.049 243.563 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 4 264.917 156.433 244.359 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 4 266.516 156.416 244.969 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 4 263.429 158.444 243.602 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 5 265.800 162.146 239.019 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 5 269.087 162.210 238.825 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 5 267.247 163.365 239.754 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 5 267.173 163.153 237.915 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 5 267.116 160.211 237.706 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 5 269.303 159.349 240.732 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 5 268.780 158.499 238.120 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 5 270.480 160.397 237.967 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 5 266.555 160.710 238.753 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 5 264.102 155.733 242.976 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 5 267.853 155.733 243.358 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 5 266.431 154.855 243.437 1.00 0.00 H Missing atom added: ATOM 4 O5' U B 6 268.562 158.997 235.584 1.00 0.00 O Missing atom added: ATOM 23 H4' U B 6 270.974 156.845 234.948 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 6 270.582 159.018 235.792 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 6 269.910 158.720 234.091 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 6 267.984 156.550 234.638 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 6 269.834 154.771 237.458 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 6 268.278 154.214 235.245 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 6 270.688 154.536 234.409 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 6 267.416 156.923 237.189 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 6 266.373 152.072 238.710 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 6 265.124 156.497 238.007 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 7 266.620 155.411 231.654 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 7 268.020 152.476 231.136 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 7 268.534 154.744 231.549 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 7 267.456 154.457 230.070 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 7 265.099 153.222 231.346 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 7 266.865 151.335 234.175 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 7 264.733 151.065 232.387 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 7 266.843 150.334 231.154 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 7 266.407 154.572 233.035 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 7 261.135 153.205 237.328 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 7 262.657 149.880 236.410 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 7 261.300 150.712 236.925 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 8 262.608 152.265 229.258 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 8 262.742 149.027 229.841 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 8 264.105 150.945 229.629 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 8 263.022 150.606 228.165 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 8 260.351 150.822 229.399 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 8 261.187 149.459 232.883 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 8 259.146 149.425 230.969 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 8 260.816 147.606 230.323 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 8 261.308 151.944 230.254 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 8 256.064 152.123 234.497 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 8 257.897 148.913 235.240 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 8 256.427 149.709 235.163 1.00 0.00 H Missing atom added: ATOM 4 O5' U B 9 252.353 149.767 231.166 1.00 0.00 O Missing atom added: ATOM 23 H4' U B 9 253.859 151.317 228.680 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 9 252.149 151.586 230.288 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 9 251.957 150.097 229.202 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 9 254.411 148.603 229.885 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 9 256.765 151.533 230.528 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 9 256.761 149.009 229.409 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 9 255.885 150.628 227.615 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 9 256.722 150.970 229.543 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 9 254.543 153.703 233.272 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 9 257.766 153.103 229.972 1.00 0.00 H Missing atom added: ATOM 4 O5' C B 10 248.504 153.343 229.701 1.00 0.00 O Missing atom added: ATOM 23 H4' C B 10 251.646 153.048 228.755 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 10 250.292 153.390 230.662 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 10 250.030 154.621 229.301 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 10 249.085 152.839 227.151 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 10 250.931 149.693 227.979 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 10 250.043 151.140 225.826 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 10 252.305 152.085 226.529 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 10 252.607 152.634 227.500 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 10 255.354 156.466 227.076 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 10 254.767 157.478 228.326 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 10 254.636 154.048 226.397 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 11 248.606 160.176 225.400 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 11 248.515 157.430 227.215 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 11 248.241 159.772 227.355 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 11 249.874 159.229 226.670 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 11 248.998 157.781 224.254 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 11 245.684 156.371 225.563 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 11 247.842 155.679 223.923 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 11 248.523 155.156 226.327 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 11 245.136 156.430 224.129 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 11 251.077 155.377 220.699 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 11 251.974 157.249 223.848 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 11 252.382 156.874 222.269 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 12 249.048 158.935 223.810 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 12 249.981 160.173 220.905 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 12 248.429 158.691 221.893 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 12 250.203 158.307 222.264 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 12 251.008 160.764 223.684 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 12 248.822 163.289 221.806 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 12 251.360 163.047 222.955 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 12 251.499 162.062 220.604 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 12 249.805 161.953 222.276 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 12 249.649 166.438 217.820 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 12 246.204 166.596 219.346 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 12 247.185 166.970 218.043 1.00 0.00 H Missing atom added: ATOM 4 O5' A B 13 251.955 166.180 225.481 1.00 0.00 O Missing atom added: ATOM 25 H4' A B 13 253.899 163.966 226.952 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 13 251.971 165.286 227.304 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 13 253.482 166.243 226.817 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 13 254.053 165.107 224.168 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 13 252.840 161.506 224.806 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 13 254.836 162.953 223.417 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 13 255.642 162.619 225.790 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 13 252.248 162.435 224.194 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 13 247.767 163.637 225.298 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 13 247.045 164.700 226.423 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 13 250.354 167.142 228.825 1.00 0.00 H Missing atom added: ATOM 4 O5' A B 14 254.658 162.177 226.898 1.00 0.00 O Missing atom added: ATOM 25 H4' A B 14 254.489 164.899 228.744 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 14 254.650 164.168 226.503 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 14 255.987 163.532 227.618 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 14 254.418 162.003 229.576 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 14 251.246 164.188 229.615 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 14 252.876 162.626 231.322 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 14 253.911 164.928 231.167 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 14 252.562 163.961 226.762 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 14 249.748 166.425 225.904 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 14 248.446 167.041 226.822 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 14 249.097 166.215 231.467 1.00 0.00 H Missing atom added: ATOM 4 O5' A B 15 255.428 161.497 233.051 1.00 0.00 O Missing atom added: ATOM 25 H4' A B 15 253.116 159.359 234.016 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 15 255.451 159.588 233.741 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 15 254.460 159.922 232.211 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 15 252.828 162.207 233.076 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 15 252.416 161.259 236.786 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 15 251.010 162.456 234.640 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 15 250.734 159.950 234.440 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 15 251.682 163.000 232.102 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 15 247.960 161.580 231.482 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 15 247.155 160.241 232.172 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 15 250.273 157.124 233.975 1.00 0.00 H Missing atom added: ATOM 4 O5' U B 16 253.862 157.396 234.582 1.00 0.00 O Missing atom added: ATOM 23 H4' U B 16 251.121 156.513 236.181 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 16 252.851 158.124 236.184 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 16 253.434 156.368 236.279 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 16 252.401 155.311 233.723 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 16 249.204 157.370 233.444 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 16 250.149 154.825 232.942 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 16 249.511 154.913 235.431 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 16 249.094 155.967 231.403 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 16 246.052 154.602 233.844 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 16 248.500 157.497 231.147 1.00 0.00 H Missing atom added: ATOM 4 O5' C B 17 253.106 153.890 235.621 1.00 0.00 O Missing atom added: ATOM 23 H4' C B 17 251.041 151.607 236.793 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 17 251.117 153.534 235.427 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 17 251.769 153.781 237.145 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 17 254.038 151.901 237.123 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 17 252.753 149.266 234.800 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 17 254.285 149.555 237.054 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 17 251.843 149.435 237.778 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 17 255.094 151.558 235.987 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 17 257.618 150.169 236.278 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 17 256.971 148.665 235.777 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 17 256.462 152.502 236.502 1.00 0.00 H Missing atom added: ATOM 4 O5' A B 18 258.828 147.857 237.659 1.00 0.00 O Missing atom added: ATOM 25 H4' A B 18 258.973 150.952 236.544 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 18 259.645 148.747 236.027 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 18 260.201 149.352 237.689 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 18 257.623 149.858 239.005 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 18 255.599 150.960 235.918 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 18 255.885 151.498 238.682 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 18 257.635 152.847 237.452 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 18 255.427 152.304 236.813 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 18 258.213 155.924 235.263 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 18 259.742 156.021 234.510 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 18 261.847 151.750 234.381 1.00 0.00 H Missing atom added: ATOM 4 O5' C B 19 258.536 149.215 242.223 1.00 0.00 O Missing atom added: ATOM 23 H4' C B 19 259.734 146.192 241.700 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 19 257.719 147.361 242.098 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 19 259.028 147.624 243.383 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 19 261.132 148.878 241.744 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 19 260.521 147.243 238.436 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 19 262.566 148.171 240.009 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 19 262.027 145.791 240.748 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 19 262.132 148.805 239.596 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 19 264.980 146.066 241.715 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 19 264.020 144.660 241.895 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 19 264.313 148.465 240.923 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 20 264.269 149.125 241.802 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 20 267.339 147.938 241.900 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 20 265.165 147.436 241.122 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 20 265.272 147.777 242.940 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 20 266.243 150.564 242.917 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 20 268.418 150.417 239.766 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 20 268.367 151.561 242.316 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 20 269.317 149.205 242.567 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 20 264.105 150.120 240.927 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 20 265.045 156.761 239.030 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 20 268.475 155.219 239.323 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 20 267.546 156.609 239.399 1.00 0.00 H Missing atom added: ATOM 4 O5' C B 21 269.571 151.088 245.181 1.00 0.00 O Missing atom added: ATOM 23 H4' C B 21 270.866 153.729 243.698 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 21 270.430 151.429 243.373 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 21 271.442 151.816 244.877 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 21 269.522 153.456 246.399 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 21 267.617 155.077 243.617 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 21 268.553 155.592 246.141 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 21 270.438 156.076 244.495 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 21 269.316 153.023 245.803 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 21 266.428 149.351 246.236 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 21 265.071 149.848 245.318 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 21 268.735 150.524 246.592 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 22 270.285 156.885 246.074 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 22 272.088 157.476 248.765 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 22 272.022 156.144 246.815 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 22 270.519 156.009 247.889 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 22 269.541 158.791 247.811 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 22 272.908 160.607 247.587 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 22 270.380 160.858 248.757 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 22 271.770 159.360 250.285 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 22 268.983 157.559 247.228 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 22 263.526 161.089 244.802 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 22 266.539 163.317 244.375 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 22 264.889 163.217 244.631 1.00 0.00 H Missing atom added: ATOM 4 O5' U B 23 269.819 162.970 249.556 1.00 0.00 O Missing atom added: ATOM 23 H4' U B 23 267.794 164.731 251.465 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 23 269.792 164.891 250.212 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 23 269.794 163.557 251.499 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 23 267.576 161.865 250.536 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 23 265.327 164.569 249.061 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 23 265.167 162.203 250.474 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 23 265.612 164.070 252.183 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 23 265.419 163.085 249.679 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 23 265.892 158.571 252.285 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 23 263.452 162.324 251.018 1.00 0.00 H Missing atom added: ATOM 4 O5' A B 24 266.359 165.980 252.878 1.00 0.00 O Missing atom added: ATOM 25 H4' A B 24 266.384 167.385 249.900 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 24 267.717 166.109 251.375 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 24 267.090 167.701 252.086 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 24 264.183 167.279 251.955 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 24 264.049 165.149 248.750 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 24 262.604 167.146 250.139 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 24 264.373 168.303 248.752 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 24 265.184 165.113 249.945 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 24 263.538 160.631 249.479 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 24 262.081 159.948 248.908 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 24 258.798 163.319 248.168 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 25 260.944 169.260 251.300 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 25 258.578 168.577 249.115 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 25 260.807 169.343 249.277 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 25 259.581 170.334 250.250 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 25 258.583 168.284 252.122 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 25 258.811 165.218 249.835 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 25 257.191 166.324 251.826 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 25 256.502 167.394 249.614 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 25 261.591 167.152 252.140 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 25 259.793 161.121 255.007 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 25 257.115 161.937 252.480 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 25 257.526 161.119 253.880 1.00 0.00 H Missing atom added: ATOM 4 O5' A B 26 255.432 168.821 252.385 1.00 0.00 O Missing atom added: ATOM 25 H4' A B 26 253.508 166.503 251.055 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 26 255.172 168.089 250.509 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 26 253.682 168.796 251.356 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 26 253.757 167.376 253.927 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 26 255.226 164.032 252.705 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 26 253.379 165.083 254.572 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 26 252.180 164.846 252.359 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 26 256.880 167.088 253.527 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 26 259.164 165.788 257.295 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 26 259.212 164.330 258.182 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 26 255.564 161.502 257.009 1.00 0.00 H Missing atom added: ATOM 4 O5' G B 27 251.790 166.264 254.798 1.00 0.00 O Missing atom added: ATOM 26 H4' G B 27 250.963 163.200 255.678 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 27 251.523 164.518 253.798 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 27 250.091 165.155 254.785 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 27 251.398 165.658 257.382 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 27 253.964 162.813 257.325 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 27 252.285 164.187 259.090 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 27 250.881 162.371 257.975 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 27 254.883 166.349 256.070 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 27 258.273 163.876 261.009 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 27 254.887 162.243 261.303 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 27 256.323 162.652 262.059 1.00 0.00 H Missing atom added: ATOM 4 O5' RA3 B 28 259.658 161.563 265.901 1.00 0.00 O Missing atom added: ATOM 25 H4' RA3 B 28 257.596 159.213 264.864 1.00 0.00 H Missing atom added: ATOM 23 H5'1 RA3 B 28 257.638 161.357 265.856 1.00 0.00 H Missing atom added: ATOM 24 H5'2 RA3 B 28 258.601 160.065 266.773 1.00 0.00 H Missing atom added: ATOM 26 H3' RA3 B 28 260.606 159.312 264.762 1.00 0.00 H Missing atom added: ATOM 29 H1' RA3 B 28 258.466 159.796 261.596 1.00 0.00 H Missing atom added: ATOM 27 H2' RA3 B 28 260.494 158.132 262.662 1.00 0.00 H Missing atom added: ATOM 28 HO'2 RA3 B 28 258.268 157.254 263.481 1.00 0.00 H Missing atom added: ATOM 30 H8 RA3 B 28 258.139 160.514 262.593 1.00 0.00 H Missing atom added: ATOM 31 H61 RA3 B 28 258.441 161.591 257.873 1.00 0.00 H Missing atom added: ATOM 32 H62 RA3 B 28 259.501 161.168 256.603 1.00 0.00 H Missing atom added: ATOM 33 H2 RA3 B 28 263.042 158.406 258.192 1.00 0.00 H Missing atom added: ATOM 34 H3T RA3 B 28 258.616 157.333 264.933 1.00 0.00 H Number of atoms: 854 Number of residues: 29 Building intraresidual bonds... Warning: Bond expected, but some of the atoms are missing: H5T O5', residue No. B 0 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 1 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 1 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 1 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 2 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 2 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 2 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 3 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 3 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 3 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 4 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 4 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 4 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 5 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 5 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 5 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 6 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 6 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 6 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 7 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 7 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 7 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 8 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 8 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 8 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 9 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 9 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 9 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 10 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 10 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 10 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 11 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 11 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 11 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 12 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 12 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 12 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 13 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 13 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 13 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 14 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 14 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 14 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 15 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 15 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 15 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 16 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 16 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 16 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 17 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 17 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 17 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 18 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 18 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 18 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 19 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 19 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 19 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 20 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 20 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 20 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 21 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 21 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 21 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 22 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 22 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 22 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 23 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 23 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 23 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 24 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 24 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 24 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 25 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 25 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 25 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 26 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 26 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 26 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 27 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 27 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 27 Warning: Bond expected, but some of the atoms are missing: P O5', residue No. B 28 Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. B 28 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. B 28 Building intraresidual angles... Warning: Angle expected, but some of the atoms are missing: C5' O5' H5T, residue No. B 0 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 1 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 1 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 1 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 1 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 2 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 2 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 2 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 2 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 3 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 3 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 3 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 3 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 4 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 4 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 4 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 4 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 5 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 5 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 5 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 5 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 6 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 6 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 6 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 6 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 7 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 7 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 7 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 7 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 8 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 8 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 8 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 8 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 9 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 9 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 9 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 9 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 10 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 10 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 10 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 10 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 11 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 11 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 11 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 11 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 12 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 12 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 12 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 12 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 13 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 13 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 13 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 13 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 14 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 14 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 14 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 14 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 15 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 15 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 15 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 15 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 16 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 16 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 16 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 16 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 17 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 17 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 17 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 17 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 18 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 18 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 18 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 18 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 19 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 19 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 19 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 19 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 20 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 20 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 20 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 20 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 21 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 21 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 21 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 21 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 22 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 22 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 22 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 22 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 23 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 23 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 23 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 23 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 24 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 24 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 24 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 24 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 25 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 25 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 25 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 25 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 26 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 26 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 26 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 26 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 27 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 27 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 27 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 27 Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. B 28 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. B 28 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. B 28 Warning: Angle expected, but some of the atoms are missing: C5' O5' P, residue No. B 28 Building intraresidual dihedrals... Warning: Dihedral expected, but some of the atoms are missing: H5T O5' C5' C4', residue No. B 0 Warning: Dihedral expected, but some of the atoms are missing: H5T O5' C5' H5'1, residue No. B 0 Warning: Dihedral expected, but some of the atoms are missing: H5T O5' C5' H5'2, residue No. B 0 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 1 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 1 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 1 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 1 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 1 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 2 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 2 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 2 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 2 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 2 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 3 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 3 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 3 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 3 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 3 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 4 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 4 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 4 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 4 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 4 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 5 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 5 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 5 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 5 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 5 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 6 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 6 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 6 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 6 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 6 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 7 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 7 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 7 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 7 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 7 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 8 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 8 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 8 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 8 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 8 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 9 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 9 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 9 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 9 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 9 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 10 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 10 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 10 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 10 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 10 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 11 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 11 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 11 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 11 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 11 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 12 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 12 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 12 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 12 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 12 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 13 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 13 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 13 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 13 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 13 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 14 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 14 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 14 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 14 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 14 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 15 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 15 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 15 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 15 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 15 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 16 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 16 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 16 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 16 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 16 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 17 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 17 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 17 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 17 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 17 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 18 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 18 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 18 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 18 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 18 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 19 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 19 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 19 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 19 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 19 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 20 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 20 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 20 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 20 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 20 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 21 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 21 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 21 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 21 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 21 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 22 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 22 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 22 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 22 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 22 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 23 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 23 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 23 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 23 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 23 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 24 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 24 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 24 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 24 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 24 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 25 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 25 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 25 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 25 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 25 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 26 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 26 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 26 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 26 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 26 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 27 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 27 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 27 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 27 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 27 Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. B 28 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. B 28 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' C4', residue No. B 28 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'1, residue No. B 28 Warning: Dihedral expected, but some of the atoms are missing: P O5' C5' H5'2, residue No. B 28 Building intraresidual impropers... Building interresidual bonds... Error: Cannot link residues: B 0 and B 1 Error: Cannot link residues: B 1 and B 2 Error: Cannot link residues: B 2 and B 3 Error: Cannot link residues: B 3 and B 4 Error: Cannot link residues: B 4 and B 5 Error: Cannot link residues: B 5 and B 6 Error: Cannot link residues: B 6 and B 7 Error: Cannot link residues: B 7 and B 8 Error: Cannot link residues: B 8 and B 9 Error: Cannot link residues: B 9 and B 10 Error: Cannot link residues: B 10 and B 11 Error: Cannot link residues: B 11 and B 12 Error: Cannot link residues: B 12 and B 13 Error: Cannot link residues: B 13 and B 14 Error: Cannot link residues: B 14 and B 15 Error: Cannot link residues: B 15 and B 16 Error: Cannot link residues: B 16 and B 17 Error: Cannot link residues: B 17 and B 18 Error: Cannot link residues: B 18 and B 19 Error: Cannot link residues: B 19 and B 20 Error: Cannot link residues: B 20 and B 21 Error: Cannot link residues: B 21 and B 22 Error: Cannot link residues: B 22 and B 23 Error: Cannot link residues: B 23 and B 24 Error: Cannot link residues: B 24 and B 25 Error: Cannot link residues: B 25 and B 26 Error: Cannot link residues: B 26 and B 27 Error: Cannot link residues: B 27 and B 28 Building interresidual angles... Internal Warning: unknown atoms in angle: H5 C2 N* Internal Warning: unknown atoms in angle: H5 C2 NB Internal Warning: unknown atoms in angle: N* C2 NB Internal Warning: unknown atoms in angle: CB N* C2 Internal Warning: unknown atoms in angle: C2 N* CT Internal Warning: unknown atoms in angle: CB NB C2 Internal Warning: unknown atoms in angle: C1 C NA Internal Warning: unknown atoms in angle: C1 C O Internal Warning: unknown atoms in angle: C1 CA N2 Internal Warning: unknown atoms in angle: C1 CA NC Internal Warning: unknown atoms in angle: C C1 C1 Internal Warning: unknown atoms in angle: C C1 CT Internal Warning: unknown atoms in angle: C C1 HA Internal Warning: unknown atoms in angle: C C1 H4 Internal Warning: unknown atoms in angle: CA C1 C1 Internal Warning: unknown atoms in angle: CA C1 HA Internal Warning: unknown atoms in angle: CA C1 H4 Internal Warning: unknown atoms in angle: C1 C1 CT Internal Warning: unknown atoms in angle: C1 C1 HA Internal Warning: unknown atoms in angle: C1 C1 H4 Internal Warning: unknown atoms in angle: C1 C1 N* Internal Warning: unknown atoms in angle: H4 C1 N* Internal Warning: unknown atoms in angle: H1 CT C1 Internal Warning: unknown atoms in angle: HC CT C1 Internal Warning: unknown atoms in angle: C N* C1 Internal Warning: unknown atoms in angle: C1 N* CT Building interresidual dihedrals... Internal Warning: unknown atom(s) in dihedral: X C2 N* X Internal Warning: unknown atom(s) in dihedral: X C2 NB X Internal Warning: unknown atom(s) in dihedral: X C C1 X Internal Warning: unknown atom(s) in dihedral: X CA C1 X Internal Warning: unknown atom(s) in dihedral: X C1 C1 X Internal Warning: unknown atom(s) in dihedral: X C1 CT X Internal Warning: unknown atom(s) in dihedral: X C1 N* X Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Number of bonds built: 901 Number of angles built: 1585 Number of dihedrals built: 2420 Number of impropers built: 202 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Internal Warning: attempt to build a trivial base pair. Number of electrostatic pairs: 361745 Number of van der Waals pairs: 97393 Number of H-bonds built: 6 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 0 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 2731032199080358.5000 kcal/mol (2611828617623311.0000 without restraints) Performing minimization step: 2. Total energy = 1897556157845690.5000 kcal/mol (1817385896895979.0000 without restraints) Performing minimization step: 3. Total energy = 1333906312312684.7500 kcal/mol (1279350292897852.0000 without restraints) Performing minimization step: 4. Total energy = 948339597143064.2500 kcal/mol (910800190060240.7500 without restraints) Performing minimization step: 5. Total energy = 681723800211081.0000 kcal/mol (655621102880428.0000 without restraints) Performing minimization step: 6. Total energy = 495464125924493.3750 kcal/mol (477132435197376.5625 without restraints) Performing minimization step: 7. Total energy = 364069334200583.4375 kcal/mol (351072569990688.8125 without restraints) Performing minimization step: 8. Total energy = 270512177068912.1250 kcal/mol (261213599639296.5625 without restraints) Performing minimization step: 9. Total energy = 203296509318229.5625 kcal/mol (196584897070604.8438 without restraints) Performing minimization step: 10. Total energy = 154580722023224.6875 kcal/mol (149694065851621.8438 without restraints) Performing minimization step: 11. Total energy = 118963301753418.2188 kcal/mol (115374033290899.3125 without restraints) Performing minimization step: 12. Total energy = 92688502392240.9688 kcal/mol (90028016545836.9375 without restraints) Performing minimization step: 13. Total energy = 73121729834948.7656 kcal/mol (71130291664154.1094 without restraints) Performing minimization step: 14. Total energy = 58400040796128.8125 kcal/mol (56893269436781.7891 without restraints) Performing minimization step: 15. Total energy = 47197459263999.3750 kcal/mol (46043730678658.2734 without restraints) Performing minimization step: 16. Total energy = 38566038786812.1016 kcal/mol (37671103519377.9219 without restraints) Performing minimization step: 17. Total energy = 31826874468137.9844 kcal/mol (31123221018276.8633 without restraints) Performing minimization step: 18. Total energy = 26493877112786.5938 kcal/mol (25933197282595.9180 without restraints) Performing minimization step: 19. Total energy = 22219114368252.5156 kcal/mol (21766826803339.5586 without restraints) Performing minimization step: 20. Total energy = 18752866189104.2891 kcal/mol (18384087907032.5977 without restraints) Performing minimization step: 21. Total energy = 15914417246148.4395 kcal/mol (15611033610913.1758 without restraints) Performing minimization step: 22. Total energy = 13571105409619.3301 kcal/mol (13319698651061.4941 without restraints) Performing minimization step: 23. Total energy = 11623714262071.4551 kcal/mol (11414142860660.2988 without restraints) Performing minimization step: 24. Total energy = 9996537445623.7207 kcal/mol (9820981107349.9043 without restraints) Performing minimization step: 25. Total energy = 8630703766669.8135 kcal/mol (8483023993288.5664 without restraints) Performing minimization step: 26. Total energy = 7479681405774.3535 kcal/mol (7354988641668.4404 without restraints) Performing minimization step: 27. Total energy = 6506202772792.8721 kcal/mol (6400556976535.7471 without restraints) Performing minimization step: 28. Total energy = 5680110538889.1133 kcal/mol (5590308392376.2256 without restraints) Performing minimization step: 29. Total energy = 4976807416321.8545 kcal/mol (4900226864748.8389 without restraints) Performing minimization step: 30. Total energy = 4376110405403.5283 kcal/mol (4310594165224.2798 without restraints) Performing minimization step: 31. Total energy = 3861383612652.2378 kcal/mol (3805149955628.7314 without restraints) Performing minimization step: 32. Total energy = 3418868500922.0039 kcal/mol (3370441669168.9780 without restraints) Performing minimization step: 33. Total energy = 3037157771373.3657 kcal/mol (2995312864264.3765 without restraints) Performing minimization step: 34. Total energy = 2706776082303.1777 kcal/mol (2670494825934.1187 without restraints) Performing minimization step: 35. Total energy = 2419841732239.3350 kcal/mol (2388276572858.4170 without restraints) Performing minimization step: 36. Total energy = 2169790741086.5811 kcal/mol (2142235410485.8965 without restraints) Performing minimization step: 37. Total energy = 1951149847123.9355 kcal/mol (1927015049222.7629 without restraints) Performing minimization step: 38. Total energy = 1759348564314.9414 kcal/mol (1738141792695.8616 without restraints) Performing minimization step: 39. Total energy = 1590563036820.2246 kcal/mol (1571871789017.4570 without restraints) Performing minimization step: 40. Total energy = 1441586241198.5759 kcal/mol (1425064071422.9014 without restraints) Performing minimization step: 41. Total energy = 1309720311265.8457 kcal/mol (1295075279321.9690 without restraints) Performing minimization step: 42. Total energy = 1192687562495.7832 kcal/mol (1179672711642.2195 without restraints) Performing minimization step: 43. Total energy = 1088557320329.9258 kcal/mol (1076962867181.8966 without restraints) Performing minimization step: 44. Total energy = 995686029980.9944 kcal/mol (985332987402.9840 without restraints) Performing minimization step: 45. Total energy = 912668426455.7756 kcal/mol (903403413415.2494 without restraints) Performing minimization step: 46. Total energy = 838297818394.4287 kcal/mol (829988842325.3843 without restraints) Performing minimization step: 47. Total energy = 771533804613.9846 kcal/mol (764066832722.6974 without restraints) Performing minimization step: 48. Total energy = 711475998214.6064 kcal/mol (704752163658.1150 without restraints) Performing minimization step: 49. Total energy = 657342572723.1582 kcal/mol (651275888747.1714 without restraints) Performing minimization step: 50. Total energy = 608452660970.7729 kcal/mol (602968140117.8005 without restraints) Performing minimization step: 51. Total energy = 564211825636.7231 kcal/mol (559243921721.3380 without restraints) Performing minimization step: 52. Total energy = 524099979504.0647 kcal/mol (519591287183.4771 without restraints) Performing minimization step: 53. Total energy = 487661264677.7341 kcal/mol (483561425429.6870 without restraints) Performing minimization step: 54. Total energy = 454495506250.5494 kcal/mol (450760280784.8701 without restraints) Performing minimization step: 55. Total energy = 424250940638.8998 kcal/mol (420841416647.2375 without restraints) Performing minimization step: 56. Total energy = 396617985555.5863 kcal/mol (393499896658.5010 without restraints) Performing minimization step: 57. Total energy = 371323870572.9248 kcal/mol (368467007697.9754 without restraints) Performing minimization step: 58. Total energy = 348127987214.9945 kcal/mol (345505687751.1932 without restraints) Performing minimization step: 59. Total energy = 326817847909.0513 kcal/mol (324406551079.5927 without restraints) Performing minimization step: 60. Total energy = 307205565891.9454 kcal/mol (304984425093.6095 without restraints) Performing minimization step: 61. Total energy = 289124785065.9253 kcal/mol (287075329624.4597 without restraints) Performing minimization step: 62. Total energy = 272428001221.1461 kcal/mol (270533841258.5175 without restraints) Performing minimization step: 63. Total energy = 256984225228.3417 kcal/mol (255230794266.6185 without restraints) Performing minimization step: 64. Total energy = 242676945688.9512 kcal/mol (241051276318.6999 without restraints) Performing minimization step: 65. Total energy = 229402353870.5448 kcal/mol (227892882370.3625 without restraints) Performing minimization step: 66. Total energy = 217067798080.0515 kcal/mol (215664194337.7452 without restraints) Performing minimization step: 67. Total energy = 205590438308.4682 kcal/mol (204283457799.2762 without restraints) Performing minimization step: 68. Total energy = 194896075241.5768 kcal/mol (193677430183.8144 without restraints) Performing minimization step: 69. Total energy = 184918130698.2218 kcal/mol (183780377842.5367 without restraints) Performing minimization step: 70. Total energy = 175596759290.1894 kcal/mol (174533202108.1352 without restraints) Performing minimization step: 71. Total energy = 166878073611.9837 kcal/mol (165882676933.4604 without restraints) Performing minimization step: 72. Total energy = 158713467563.4138 kcal/mol (157780782971.8805 without restraints) Performing minimization step: 73. Total energy = 151059024480.5181 kcal/mol (150184125005.6789 without restraints) Performing minimization step: 74. Total energy = 143874998596.7371 kcal/mol (143053421449.1286 without restraints) Performing minimization step: 75. Total energy = 137125359975.9661 kcal/mol (136353056247.6101 without restraints) Performing minimization step: 76. Total energy = 130777394471.0450 kcal/mol (130050684880.1428 without restraints) Performing minimization step: 77. Total energy = 124801351471.5812 kcal/mol (124116887361.6976 without restraints) Performing minimization step: 78. Total energy = 119170133240.6371 kcal/mol (118524862157.4848 without restraints) Performing minimization step: 79. Total energy = 113859020517.3939 kcal/mol (113250155781.4178 without restraints) Performing minimization step: 80. Total energy = 108845429805.9973 kcal/mol (108270423579.5276 without restraints) Performing minimization step: 81. Total energy = 104108698399.1285 kcal/mol (103565217814.9172 without restraints) Performing minimization step: 82. Total energy = 99629893715.8657 kcal/mol (99115799691.6761 without restraints) Performing minimization step: 83. Total energy = 95391643985.7797 kcal/mol (94904972398.3947 without restraints) Performing minimization step: 84. Total energy = 91377987694.5995 kcal/mol (90916932629.0243 without restraints) Performing minimization step: 85. Total energy = 87574239537.0329 kcal/mol (87137138362.1379 without restraints) Performing minimization step: 86. Total energy = 83966870905.6000 kcal/mol (83552190958.7808 without restraints) Performing minimization step: 87. Total energy = 80543403189.0663 kcal/mol (80149729879.5516 without restraints) Performing minimization step: 88. Total energy = 77292312368.6658 kcal/mol (76918338532.2088 without restraints) Performing minimization step: 89. Total energy = 74202943584.8909 kcal/mol (73847459943.4225 without restraints) Performing minimization step: 90. Total energy = 71265434510.7284 kcal/mol (70927321108.4199 without restraints) Performing minimization step: 91. Total energy = 68470646511.2369 kcal/mol (68148865014.0476 without restraints) Performing minimization step: 92. Total energy = 65810102692.7422 kcal/mol (65503689452.7441 without restraints) Performing minimization step: 93. Total energy = 63275932056.8794 kcal/mol (62983991854.4066 without restraints) Performing minimization step: 94. Total energy = 60860819070.6150 kcal/mol (60582519458.3309 without restraints) Performing minimization step: 95. Total energy = 58557958048.2322 kcal/mol (58292524230.4510 without restraints) Performing minimization step: 96. Total energy = 56361011816.8047 kcal/mol (56107722005.5528 without restraints) Performing minimization step: 97. Total energy = 54264074200.3506 kcal/mol (54022255397.0373 without restraints) Performing minimization step: 98. Total energy = 52261635916.3098 kcal/mol (52030660074.0248 without restraints) Performing minimization step: 99. Total energy = 50348553526.7121 kcal/mol (50127834053.6426 without restraints) Performing minimization step: 100. Total energy = 48520021130.4389 kcal/mol (48309009699.6985 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 101. Total energy = 46771544519.9758 kcal/mol (46569728155.3249 without restraints) Performing minimization step: 102. Total energy = 45098917559.1066 kcal/mol (44905815969.5038 without restraints) Performing minimization step: 103. Total energy = 43498200566.6727 kcal/mol (43313363705.7874 without restraints) Performing minimization step: 104. Total energy = 41965700515.0222 kcal/mol (41788706344.6087 without restraints) Performing minimization step: 105. Total energy = 40497952874.4848 kcal/mol (40328405312.6746 without restraints) Performing minimization step: 106. Total energy = 39091704952.6256 kcal/mol (38929231990.4032 without restraints) Performing minimization step: 107. Total energy = 37743900593.5617 kcal/mol (37588152564.3557 without restraints) Performing minimization step: 108. Total energy = 36451666116.5201 kcal/mol (36302314105.4185 without restraints) Performing minimization step: 109. Total energy = 35212297385.1483 kcal/mol (35069031765.5668 without restraints) Performing minimization step: 110. Total energy = 34023247909.3908 kcal/mol (33885776996.2115 without restraints) Performing minimization step: 111. Total energy = 32882117891.6767 kcal/mol (32750166700.9387 without restraints) Performing minimization step: 112. Total energy = 31786644136.8562 kcal/mol (31659953242.9809 without restraints) Performing minimization step: 113. Total energy = 30734690753.2924 kcal/mol (30613015235.6029 without restraints) Performing minimization step: 114. Total energy = 29724240578.4770 kcal/mol (29607349049.5672 without restraints) Performing minimization step: 115. Total energy = 28753387268.7862 kcal/mol (28641060977.9272 without restraints) Performing minimization step: 116. Total energy = 27820327998.1149 kcal/mol (27712360003.4290 without restraints) Performing minimization step: 117. Total energy = 26923356714.8057 kcal/mol (26819551118.5510 without restraints) Performing minimization step: 118. Total energy = 26060857910.7685 kcal/mol (25961029152.4774 without restraints) Performing minimization step: 119. Total energy = 25231300860.3748 kcal/mol (25135273063.1059 without restraints) Performing minimization step: 120. Total energy = 24433234290.4127 kcal/mol (24340840655.7309 without restraints) Performing minimization step: 121. Total energy = 23665281445.7639 kcal/mol (23576363693.3976 without restraints) Performing minimization step: 122. Total energy = 22926135517.9921 kcal/mol (22840543366.5931 without restraints) Performing minimization step: 123. Total energy = 22214555407.4075 kcal/mol (22132146092.9362 without restraints) Performing minimization step: 124. Total energy = 21529361791.0084 kcal/mol (21449999619.7529 without restraints) Performing minimization step: 125. Total energy = 20869433471.6178 kcal/mol (20792989404.9794 without restraints) Performing minimization step: 126. Total energy = 20233703985.0914 kcal/mol (20160055253.5803 without restraints) Performing minimization step: 127. Total energy = 19621158444.8971 kcal/mol (19550188188.9579 without restraints) Performing minimization step: 128. Total energy = 19030830604.7625 kcal/mol (18962427540.2873 without restraints) Performing minimization step: 129. Total energy = 18461800121.9402 kcal/mol (18395858228.4798 without restraints) Performing minimization step: 130. Total energy = 17913190005.1503 kcal/mol (17849608235.0219 without restraints) Performing minimization step: 131. Total energy = 17384164232.4210 kcal/mol (17322846239.0677 without restraints) Performing minimization step: 132. Total energy = 16873925525.5773 kcal/mol (16814779409.6635 without restraints) Performing minimization step: 133. Total energy = 16381713269.1434 kcal/mol (16324651341.0194 without restraints) Performing minimization step: 134. Total energy = 15906801562.4033 kcal/mol (15851740119.6603 without restraints) Performing minimization step: 135. Total energy = 15448497394.5509 kcal/mol (15395356513.5345 without restraints) Performing minimization step: 136. Total energy = 15006138933.5124 kcal/mol (14954842273.7382 without restraints) Performing minimization step: 137. Total energy = 14579093919.9588 kcal/mol (14529568540.4658 without restraints) Performing minimization step: 138. Total energy = 14166758158.7226 kcal/mol (14118934345.4922 without restraints) Performing minimization step: 139. Total energy = 13768554100.5230 kcal/mol (13722365204.1522 without restraints) Performing minimization step: 140. Total energy = 13383929507.4622 kcal/mol (13339311790.3724 without restraints) Performing minimization step: 141. Total energy = 13012356196.3411 kcal/mol (12969248688.8321 without restraints) Performing minimization step: 142. Total energy = 12653328854.3899 kcal/mol (12611673218.9387 without restraints) Performing minimization step: 143. Total energy = 12306363922.3430 kcal/mol (12266104325.5731 without restraints) Performing minimization step: 144. Total energy = 11970998540.3561 kcal/mol (11932081532.1675 without restraints) Performing minimization step: 145. Total energy = 11646789552.5296 kcal/mol (11609163951.9085 without restraints) Performing minimization step: 146. Total energy = 11333312566.1746 kcal/mol (11296929353.2575 without restraints) Performing minimization step: 147. Total energy = 11030161062.2938 kcal/mol (10994973276.2677 without restraints) Performing minimization step: 148. Total energy = 10736945554.0276 kcal/mol (10702908196.5124 without restraints) Performing minimization step: 149. Total energy = 10453292790.0068 kcal/mol (10420362733.5728 without restraints) Performing minimization step: 150. Total energy = 10178844999.8987 kcal/mol (10146980901.4050 without restraints) Performing minimization step: 151. Total energy = 9913259179.5425 kcal/mol (9882421398.0050 without restraints) Performing minimization step: 152. Total energy = 9656206413.3325 kcal/mol (9626356932.0533 without restraints) Performing minimization step: 153. Total energy = 9407371231.6169 kcal/mol (9378473584.3284 without restraints) Performing minimization step: 154. Total energy = 9166451001.1183 kcal/mol (9138470201.9033 without restraints) Performing minimization step: 155. Total energy = 8933155346.4333 kcal/mol (8906057823.2130 without restraints) Performing minimization step: 156. Total energy = 8707205600.9021 kcal/mol (8680959132.2878 without restraints) Performing minimization step: 157. Total energy = 8488334285.1506 kcal/mol (8462907940.4667 without restraints) Performing minimization step: 158. Total energy = 8276284611.8059 kcal/mol (8251648694.1197 without restraints) Performing minimization step: 159. Total energy = 8070810014.9322 kcal/mol (8046936006.9210 without restraints) Performing minimization step: 160. Total energy = 7871673702.8476 kcal/mol (7848534215.3424 without restraints) Performing minimization step: 161. Total energy = 7678648233.0588 kcal/mol (7656216956.1351 without restraints) Performing minimization step: 162. Total energy = 7491515108.1204 kcal/mol (7469766764.5836 without restraints) Performing minimization step: 163. Total energy = 7310064391.2994 kcal/mol (7288974692.4554 without restraints) Performing minimization step: 164. Total energy = 7134094341.0132 kcal/mol (7113639944.5826 without restraints) Performing minimization step: 165. Total energy = 6963411063.0115 kcal/mol (6943569533.0884 without restraints) Performing minimization step: 166. Total energy = 6797828179.3802 kcal/mol (6778577948.3244 without restraints) Performing minimization step: 167. Total energy = 6637166513.4826 kcal/mol (6618486845.6359 without restraints) Performing minimization step: 168. Total energy = 6481253789.9767 kcal/mol (6463124747.1161 without restraints) Performing minimization step: 169. Total energy = 6329924349.1173 kcal/mol (6312326757.5487 without restraints) Performing minimization step: 170. Total energy = 6183018874.5805 kcal/mol (6165934293.7800 without restraints) Performing minimization step: 171. Total energy = 6040384134.0909 kcal/mol (6023794826.8215 without restraints) Performing minimization step: 172. Total energy = 5901872732.1577 kcal/mol (5885761635.9725 without restraints) Performing minimization step: 173. Total energy = 5767342874.2724 kcal/mol (5751693574.3358 without restraints) Performing minimization step: 174. Total energy = 5636658141.9456 kcal/mol (5621454845.0973 without restraints) Performing minimization step: 175. Total energy = 5509687277.9945 kcal/mol (5494914787.9896 without restraints) Performing minimization step: 176. Total energy = 5386303981.5198 kcal/mol (5371947675.3805 without restraints) Performing minimization step: 177. Total energy = 5266386712.0368 kcal/mol (5252432517.4562 without restraints) Performing minimization step: 178. Total energy = 5149818502.2598 kcal/mol (5136252875.9946 without restraints) Performing minimization step: 179. Total energy = 5036486779.0591 kcal/mol (5023296686.2630 without restraints) Performing minimization step: 180. Total energy = 4926283192.1390 kcal/mol (4913456086.5810 without restraints) Performing minimization step: 181. Total energy = 4819103450.0122 kcal/mol (4806627255.1295 without restraints) Performing minimization step: 182. Total energy = 4714847162.8567 kcal/mol (4702710253.6020 without restraints) Performing minimization step: 183. Total energy = 4613417691.8941 kcal/mol (4601608877.3247 without restraints) Performing minimization step: 184. Total energy = 4514722004.9111 kcal/mol (4503230511.4876 without restraints) Performing minimization step: 185. Total energy = 4418670537.6119 kcal/mol (4407485993.1652 without restraints) Performing minimization step: 186. Total energy = 4325177060.4776 kcal/mol (4314289478.8071 without restraints) Performing minimization step: 187. Total energy = 4234158550.8376 kcal/mol (4223558316.9090 without restraints) Performing minimization step: 188. Total energy = 4145535069.8963 kcal/mol (4135212925.6100 without restraints) Performing minimization step: 189. Total energy = 4059229644.4577 kcal/mol (4049176674.9551 without restraints) Performing minimization step: 190. Total energy = 3975168153.1120 kcal/mol (3965375773.5973 without restraints) Performing minimization step: 191. Total energy = 3893279216.6751 kcal/mol (3883739159.7273 without restraints) Performing minimization step: 192. Total energy = 3813494092.6828 kcal/mol (3804198396.0342 without restraints) Performing minimization step: 193. Total energy = 3735746573.7610 kcal/mol (3726687568.5220 without restraints) Performing minimization step: 194. Total energy = 3659972889.6942 kcal/mol (3651143189.0087 without restraints) Performing minimization step: 195. Total energy = 3586111613.0543 kcal/mol (3577504101.1628 without restraints) Performing minimization step: 196. Total energy = 3514103568.2377 kcal/mol (3505711389.9372 without restraints) Performing minimization step: 197. Total energy = 3443891743.7833 kcal/mol (3435708294.2670 without restraints) Performing minimization step: 198. Total energy = 3375421207.8576 kcal/mol (3367440122.9201 without restraints) Performing minimization step: 199. Total energy = 3308639026.7922 kcal/mol (3300854173.3906 without restraints) Performing minimization step: 200. Total energy = 3243494186.5690 kcal/mol (3235899653.7261 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 201. Total energy = 3179937517.1690 kcal/mol (3172527607.2075 without restraints) Performing minimization step: 202. Total energy = 3117921619.6830 kcal/mol (3110690839.7829 without restraints) Performing minimization step: 203. Total energy = 3057400796.1136 kcal/mol (3050343850.1800 without restraints) Performing minimization step: 204. Total energy = 2998330981.7770 kcal/mol (2991442762.6125 without restraints) Performing minimization step: 205. Total energy = 2940669680.2391 kcal/mol (2933945262.0106 without restraints) Performing minimization step: 206. Total energy = 2884375900.7132 kcal/mol (2877810531.7035 without restraints) Performing minimization step: 207. Total energy = 2829410097.8397 kcal/mol (2822999193.4784 without restraints) Performing minimization step: 208. Total energy = 2775734113.7937 kcal/mol (2769473249.9576 without restraints) Performing minimization step: 209. Total energy = 2723311122.6454 kcal/mol (2717196029.2215 without restraints) Performing minimization step: 210. Total energy = 2672105576.9103 kcal/mol (2666132131.6132 without restraints) Performing minimization step: 211. Total energy = 2622083156.2269 kcal/mol (2616247378.6638 without restraints) Performing minimization step: 212. Total energy = 2573210718.0958 kcal/mol (2567508764.0713 without restraints) Performing minimization step: 213. Total energy = 2525456250.6210 kcal/mol (2519884406.6733 without restraints) Performing minimization step: 214. Total energy = 2478788827.1831 kcal/mol (2473343505.3477 without restraints) Performing minimization step: 215. Total energy = 2433178562.9961 kcal/mol (2427856295.7842 without restraints) Performing minimization step: 216. Total energy = 2388596573.4710 kcal/mol (2383394009.0600 without restraints) Performing minimization step: 217. Total energy = 2345014934.3350 kcal/mol (2339928831.9632 without restraints) Performing minimization step: 218. Total energy = 2302406643.4446 kcal/mol (2297433868.9999 without restraints) Performing minimization step: 219. Total energy = 2260745584.2252 kcal/mol (2255883106.0242 without restraints) Performing minimization step: 220. Total energy = 2220006490.6884 kcal/mol (2215251375.4378 without restraints) Performing minimization step: 221. Total energy = 2180164913.9589 kcal/mol (2175514322.8917 without restraints) Performing minimization step: 222. Total energy = 2141197190.2592 kcal/mol (2136648375.4392 without restraints) Performing minimization step: 223. Total energy = 2103080410.2925 kcal/mol (2098630711.0804 without restraints) Performing minimization step: 224. Total energy = 2065792389.9642 kcal/mol (2061439229.6399 without restraints) Performing minimization step: 225. Total energy = 2029311642.3976 kcal/mol (2025052524.9301 without restraints) Performing minimization step: 226. Total energy = 1993617351.1767 kcal/mol (1989449858.1371 without restraints) Performing minimization step: 227. Total energy = 1958689344.7752 kcal/mol (1954611132.3861 without restraints) Performing minimization step: 228. Total energy = 1924508072.1146 kcal/mol (1920516868.4300 without restraints) Performing minimization step: 229. Total energy = 1891054579.2017 kcal/mol (1887148181.4116 without restraints) Performing minimization step: 230. Total energy = 1858310486.8015 kcal/mol (1854486758.6552 without restraints) Performing minimization step: 231. Total energy = 1826257969.0941 kcal/mol (1822514838.4383 without restraints) Performing minimization step: 232. Total energy = 1794879733.2763 kcal/mol (1791215189.7009 without restraints) Performing minimization step: 233. Total energy = 1764159000.0585 kcal/mol (1760571092.6457 without restraints) Performing minimization step: 234. Total energy = 1734079485.0190 kcal/mol (1730566320.1923 without restraints) Performing minimization step: 235. Total energy = 1704625380.7750 kcal/mol (1701185120.2413 without restraints) Performing minimization step: 236. Total energy = 1675781339.9329 kcal/mol (1672412198.7140 without restraints) Performing minimization step: 237. Total energy = 1647532458.7755 kcal/mol (1644232703.3260 without restraints) Performing minimization step: 238. Total energy = 1619864261.6596 kcal/mol (1616632208.0648 without restraints) Performing minimization step: 239. Total energy = 1592762686.0813 kcal/mol (1589596698.3336 without restraints) Performing minimization step: 240. Total energy = 1566214068.3830 kcal/mol (1563112556.7307 without restraints) Performing minimization step: 241. Total energy = 1540205130.0679 kcal/mol (1537166549.4354 without restraints) Performing minimization step: 242. Total energy = 1514722964.6947 kcal/mol (1511745813.1684 without restraints) Performing minimization step: 243. Total energy = 1489755025.3215 kcal/mol (1486837842.6993 without restraints) Performing minimization step: 244. Total energy = 1465289112.4758 kcal/mol (1462430478.8771 without restraints) Performing minimization step: 245. Total energy = 1441313362.6219 kcal/mol (1438511897.1551 without restraints) Performing minimization step: 246. Total energy = 1417816237.1040 kcal/mol (1415070596.5886 without restraints) Performing minimization step: 247. Total energy = 1394786511.5409 kcal/mol (1392095389.2814 without restraints) Performing minimization step: 248. Total energy = 1372213265.6499 kcal/mol (1369575390.2594 without restraints) Performing minimization step: 249. Total energy = 1350085873.4808 kcal/mol (1347500007.7516 without restraints) Performing minimization step: 250. Total energy = 1328393994.0377 kcal/mol (1325858933.8570 without restraints) Performing minimization step: 251. Total energy = 1307127562.2746 kcal/mol (1304642135.5824 without restraints) Performing minimization step: 252. Total energy = 1286276780.4406 kcal/mol (1283839846.2286 without restraints) Performing minimization step: 253. Total energy = 1265832109.7635 kcal/mol (1263442557.1130 without restraints) Performing minimization step: 254. Total energy = 1245784262.4535 kcal/mol (1243441009.6093 without restraints) Performing minimization step: 255. Total energy = 1226124194.0110 kcal/mol (1223826187.4919 without restraints) Performing minimization step: 256. Total energy = 1206843095.8259 kcal/mol (1204589309.5664 without restraints) Performing minimization step: 257. Total energy = 1187932388.0544 kcal/mol (1185721822.5816 without restraints) Performing minimization step: 258. Total energy = 1169383712.7612 kcal/mol (1167215394.3989 without restraints) Performing minimization step: 259. Total energy = 1151188927.3103 kcal/mol (1149061907.4144 without restraints) Performing minimization step: 260. Total energy = 1133340098.0000 kcal/mol (1131253452.2203 without restraints) Performing minimization step: 261. Total energy = 1115829493.9259 kcal/mol (1113782321.4955 without restraints) Performing minimization step: 262. Total energy = 1098649581.0630 kcal/mol (1096641004.1119 without restraints) Performing minimization step: 263. Total energy = 1081793016.5579 kcal/mol (1079822179.4516 without restraints) Performing minimization step: 264. Total energy = 1065252643.2199 kcal/mol (1063318711.9205 without restraints) Performing minimization step: 265. Total energy = 1049021484.2041 kcal/mol (1047123645.6535 without restraints) Performing minimization step: 266. Total energy = 1033092737.8765 kcal/mol (1031230199.4013 without restraints) Performing minimization step: 267. Total energy = 1017459772.8533 kcal/mol (1015631761.5889 without restraints) Performing minimization step: 268. Total energy = 1002116123.2100 kcal/mol (1000321885.5448 without restraints) Performing minimization step: 269. Total energy = 987055483.8471 kcal/mol (985294284.8846 without restraints) Performing minimization step: 270. Total energy = 972271706.0093 kcal/mol (970542829.0481 without restraints) Performing minimization step: 271. Total energy = 957758792.9543 kcal/mol (956061538.9855 without restraints) Performing minimization step: 272. Total energy = 943510895.7587 kcal/mol (941844582.9785 without restraints) Performing minimization step: 273. Total energy = 929522309.2619 kcal/mol (927886272.6011 without restraints) Performing minimization step: 274. Total energy = 915787468.1349 kcal/mol (914181058.8019 without restraints) Performing minimization step: 275. Total energy = 902300943.0774 kcal/mol (900723528.1164 without restraints) Performing minimization step: 276. Total energy = 889057437.1312 kcal/mol (887508398.9943 without restraints) Performing minimization step: 277. Total energy = 876051782.1083 kcal/mol (874530518.2404 without restraints) Performing minimization step: 278. Total energy = 863278935.1304 kcal/mol (861784857.5668 without restraints) Performing minimization step: 279. Total energy = 850733975.2710 kcal/mol (849266510.2471 without restraints) Performing minimization step: 280. Total energy = 838412100.3018 kcal/mol (836970687.8754 without restraints) Performing minimization step: 281. Total energy = 826308623.5350 kcal/mol (824892717.2188 without restraints) Performing minimization step: 282. Total energy = 814418970.7605 kcal/mol (813028037.1659 without restraints) Performing minimization step: 283. Total energy = 802738677.2717 kcal/mol (801372195.7633 without restraints) Performing minimization step: 284. Total energy = 791263384.9820 kcal/mol (789920847.3421 without restraints) Performing minimization step: 285. Total energy = 779988839.6216 kcal/mol (778669749.7242 without restraints) Performing minimization step: 286. Total energy = 768910888.0182 kcal/mol (767614761.5127 without restraints) Performing minimization step: 287. Total energy = 758025475.4536 kcal/mol (756751839.4572 without restraints) Performing minimization step: 288. Total energy = 747328643.0976 kcal/mol (746077035.8971 without restraints) Performing minimization step: 289. Total energy = 736816525.5139 kcal/mol (735586496.2750 without restraints) Performing minimization step: 290. Total energy = 726485348.2365 kcal/mol (725276456.7224 without restraints) Performing minimization step: 291. Total energy = 716331425.4146 kcal/mol (715143241.7114 without restraints) Performing minimization step: 292. Total energy = 706351157.5227 kcal/mol (705183261.7733 without restraints) Performing minimization step: 293. Total energy = 696541029.1349 kcal/mol (695393011.2799 without restraints) Performing minimization step: 294. Total energy = 686897606.7612 kcal/mol (685769066.2868 without restraints) Performing minimization step: 295. Total energy = 677417536.7422 kcal/mol (676308082.4355 without restraints) Performing minimization step: 296. Total energy = 668097543.2033 kcal/mol (667006792.9140 without restraints) Performing minimization step: 297. Total energy = 658934426.0634 kcal/mol (657862006.4721 without restraints) Performing minimization step: 298. Total energy = 649925059.0994 kcal/mol (648870605.4922 without restraints) Performing minimization step: 299. Total energy = 641066388.0623 kcal/mol (640029544.1114 without restraints) Performing minimization step: 300. Total energy = 632355428.8441 kcal/mol (631335846.3947 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 301. Total energy = 623789265.6967 kcal/mol (622786604.5592 without restraints) Performing minimization step: 302. Total energy = 615365049.4955 kcal/mol (614378977.2439 without restraints) Performing minimization step: 303. Total energy = 607079996.0528 kcal/mol (606110187.8276 without restraints) Performing minimization step: 304. Total energy = 598931384.4736 kcal/mol (597977522.7912 without restraints) Performing minimization step: 305. Total energy = 590916555.5592 kcal/mol (589978330.1252 without restraints) Performing minimization step: 306. Total energy = 583032910.2499 kcal/mol (582110017.7784 without restraints) Performing minimization step: 307. Total energy = 575277908.1121 kcal/mol (574370052.1491 without restraints) Performing minimization step: 308. Total energy = 567649065.8639 kcal/mol (566755956.6160 without restraints) Performing minimization step: 309. Total energy = 560143955.9421 kcal/mol (559265310.1092 without restraints) Performing minimization step: 310. Total energy = 552760205.1048 kcal/mol (551895745.7180 without restraints) Performing minimization step: 311. Total energy = 545495493.0740 kcal/mol (544644949.3367 without restraints) Performing minimization step: 312. Total energy = 538347551.2121 kcal/mol (537510658.3465 without restraints) Performing minimization step: 313. Total energy = 531314161.2347 kcal/mol (530490660.3318 without restraints) Performing minimization step: 314. Total energy = 524393153.9578 kcal/mol (523582791.8314 without restraints) Performing minimization step: 315. Total energy = 517582408.0774 kcal/mol (516784937.1220 without restraints) Performing minimization step: 316. Total energy = 510879848.9821 kcal/mol (510095027.0348 without restraints) Performing minimization step: 317. Total energy = 504283447.5971 kcal/mol (503511037.8025 without restraints) Performing minimization step: 318. Total energy = 497791219.2585 kcal/mol (497030989.9380 without restraints) Performing minimization step: 319. Total energy = 491401222.6176 kcal/mol (490652947.1421 without restraints) Performing minimization step: 320. Total energy = 485111558.5748 kcal/mol (484375015.2397 without restraints) Performing minimization step: 321. Total energy = 478920369.2402 kcal/mol (478195341.1451 without restraints) Performing minimization step: 322. Total energy = 472825836.9235 kcal/mol (472112111.8541 without restraints) Performing minimization step: 323. Total energy = 466826183.1488 kcal/mol (466123553.4623 without restraints) Performing minimization step: 324. Total energy = 460919667.6963 kcal/mol (460227930.2099 without restraints) Performing minimization step: 325. Total energy = 455104587.6692 kcal/mol (454423543.5516 without restraints) Performing minimization step: 326. Total energy = 449379276.5860 kcal/mol (448708731.2510 without restraints) Performing minimization step: 327. Total energy = 443742103.4935 kcal/mol (443081866.4975 without restraints) Performing minimization step: 328. Total energy = 438191472.1083 kcal/mol (437541357.0496 without restraints) Performing minimization step: 329. Total energy = 432725819.9752 kcal/mol (432085644.3967 without restraints) Performing minimization step: 330. Total energy = 427343617.6518 kcal/mol (426713202.9452 without restraints) Performing minimization step: 331. Total energy = 422043367.9117 kcal/mol (421422539.2254 without restraints) Performing minimization step: 332. Total energy = 416823604.9714 kcal/mol (416212191.1201 without restraints) Performing minimization step: 333. Total energy = 411682893.7343 kcal/mol (411080727.1111 without restraints) Performing minimization step: 334. Total energy = 406619829.0565 kcal/mol (406026745.5474 without restraints) Performing minimization step: 335. Total energy = 401633035.0311 kcal/mol (401048873.9311 without restraints) Performing minimization step: 336. Total energy = 396721164.2903 kcal/mol (396145768.2230 without restraints) Performing minimization step: 337. Total energy = 391882897.3273 kcal/mol (391316112.1651 without restraints) Performing minimization step: 338. Total energy = 387116941.8339 kcal/mol (386558616.6214 without restraints) Performing minimization step: 339. Total energy = 382422032.0568 kcal/mol (381872018.9355 without restraints) Performing minimization step: 340. Total energy = 377796928.1693 kcal/mol (377255082.3044 without restraints) Performing minimization step: 341. Total energy = 373240415.6603 kcal/mol (372706595.1698 without restraints) Performing minimization step: 342. Total energy = 368751304.7376 kcal/mol (368225370.6225 without restraints) Performing minimization step: 343. Total energy = 364328429.7488 kcal/mol (363810245.8256 without restraints) Performing minimization step: 344. Total energy = 359970648.6139 kcal/mol (359460081.4488 without restraints) Performing minimization step: 345. Total energy = 355676842.2756 kcal/mol (355173761.1203 without restraints) Performing minimization step: 346. Total energy = 351445914.1616 kcal/mol (350950190.8903 without restraints) Performing minimization step: 347. Total energy = 347276789.6609 kcal/mol (346788298.7100 without restraints) Performing minimization step: 348. Total energy = 343168415.6147 kcal/mol (342687033.9229 without restraints) Performing minimization step: 349. Total energy = 339119759.8186 kcal/mol (338645366.7690 without restraints) Performing minimization step: 350. Total energy = 335129810.5385 kcal/mol (334662287.9023 without restraints) Performing minimization step: 351. Total energy = 331197576.0382 kcal/mol (330736807.9199 without restraints) Performing minimization step: 352. Total energy = 327322084.1199 kcal/mol (326867956.9031 without restraints) Performing minimization step: 353. Total energy = 323502381.6751 kcal/mol (323054783.9706 without restraints) Performing minimization step: 354. Total energy = 319737534.2465 kcal/mol (319296356.8415 without restraints) Performing minimization step: 355. Total energy = 316026625.6046 kcal/mol (315591761.4127 without restraints) Performing minimization step: 356. Total energy = 312368757.3292 kcal/mol (311940101.3422 without restraints) Performing minimization step: 357. Total energy = 308763048.4062 kcal/mol (308340497.6468 without restraints) Performing minimization step: 358. Total energy = 305208634.8321 kcal/mol (304792088.3080 without restraints) Performing minimization step: 359. Total energy = 301704669.2297 kcal/mol (301294027.8885 without restraints) Performing minimization step: 360. Total energy = 298250320.4718 kcal/mol (297845487.1577 without restraints) Performing minimization step: 361. Total energy = 294844773.3164 kcal/mol (294445652.7271 without restraints) Performing minimization step: 362. Total energy = 291487228.0498 kcal/mol (291093726.6952 without restraints) Performing minimization step: 363. Total energy = 288176900.1383 kcal/mol (287788926.2998 without restraints) Performing minimization step: 364. Total energy = 284913019.8896 kcal/mol (284530483.5809 without restraints) Performing minimization step: 365. Total energy = 281694832.1220 kcal/mol (281317645.0501 without restraints) Performing minimization step: 366. Total energy = 278521595.8421 kcal/mol (278149671.3701 without restraints) Performing minimization step: 367. Total energy = 275392583.9303 kcal/mol (275025837.0408 without restraints) Performing minimization step: 368. Total energy = 272307082.8342 kcal/mol (271945430.0929 without restraints) Performing minimization step: 369. Total energy = 269264392.2698 kcal/mol (268907751.7917 without restraints) Performing minimization step: 370. Total energy = 266263824.9303 kcal/mol (265912116.3449 without restraints) Performing minimization step: 371. Total energy = 263304706.2016 kcal/mol (262957850.6201 without restraints) Performing minimization step: 372. Total energy = 260386373.8849 kcal/mol (260044293.8679 without restraints) Performing minimization step: 373. Total energy = 257508177.9266 kcal/mol (257170797.4526 without restraints) Performing minimization step: 374. Total energy = 254669480.1548 kcal/mol (254336724.5893 without restraints) Performing minimization step: 375. Total energy = 251869654.0220 kcal/mol (251541450.0876 without restraints) Performing minimization step: 376. Total energy = 249108084.3544 kcal/mol (248784360.1017 without restraints) Performing minimization step: 377. Total energy = 246384167.1074 kcal/mol (246064851.8865 without restraints) Performing minimization step: 378. Total energy = 243697309.1270 kcal/mol (243382333.5596 without restraints) Performing minimization step: 379. Total energy = 241046927.9176 kcal/mol (240736223.8697 without restraints) Performing minimization step: 380. Total energy = 238432451.4144 kcal/mol (238125951.9703 without restraints) Performing minimization step: 381. Total energy = 235853317.7627 kcal/mol (235550957.1989 without restraints) Performing minimization step: 382. Total energy = 233308975.1022 kcal/mol (233010688.8621 without restraints) Performing minimization step: 383. Total energy = 230798881.3551 kcal/mol (230504606.0250 without restraints) Performing minimization step: 384. Total energy = 228322504.0229 kcal/mol (228032177.3073 without restraints) Performing minimization step: 385. Total energy = 225879319.9842 kcal/mol (225592880.6833 without restraints) Performing minimization step: 386. Total energy = 223468815.3004 kcal/mol (223186203.2866 without restraints) Performing minimization step: 387. Total energy = 221090485.0244 kcal/mol (220811641.2204 without restraints) Performing minimization step: 388. Total energy = 218743833.0151 kcal/mol (218468699.3722 without restraints) Performing minimization step: 389. Total energy = 216428371.7554 kcal/mol (216156891.2323 without restraints) Performing minimization step: 390. Total energy = 214143622.1759 kcal/mol (213875738.7181 without restraints) Performing minimization step: 391. Total energy = 211889113.4819 kcal/mol (211624772.0017 without restraints) Performing minimization step: 392. Total energy = 209664382.9845 kcal/mol (209403529.3410 without restraints) Performing minimization step: 393. Total energy = 207468975.9366 kcal/mol (207211556.9168 without restraints) Performing minimization step: 394. Total energy = 205302445.3726 kcal/mol (205048408.6726 without restraints) Performing minimization step: 395. Total energy = 203164351.9509 kcal/mol (202913646.1578 without restraints) Performing minimization step: 396. Total energy = 201054263.8025 kcal/mol (200806838.3762 without restraints) Performing minimization step: 397. Total energy = 198971756.3817 kcal/mol (198727561.6383 without restraints) Performing minimization step: 398. Total energy = 196916412.3193 kcal/mol (196675399.4128 without restraints) Performing minimization step: 399. Total energy = 194887821.2811 kcal/mol (194649942.1885 without restraints) Performing minimization step: 400. Total energy = 192885579.8309 kcal/mol (192650787.3347 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 401. Total energy = 190909291.2933 kcal/mol (190677538.9664 without restraints) Performing minimization step: 402. Total energy = 188958565.6226 kcal/mol (188729807.8125 without restraints) Performing minimization step: 403. Total energy = 187033019.2727 kcal/mol (186807211.0871 without restraints) Performing minimization step: 404. Total energy = 185132275.0733 kcal/mol (184909372.3646 without restraints) Performing minimization step: 405. Total energy = 183255962.1052 kcal/mol (183035921.4567 without restraints) Performing minimization step: 406. Total energy = 181403715.5812 kcal/mol (181186494.2931 without restraints) Performing minimization step: 407. Total energy = 179575176.7287 kcal/mol (179360732.8043 without restraints) Performing minimization step: 408. Total energy = 177769992.6757 kcal/mol (177558284.8079 without restraints) Performing minimization step: 409. Total energy = 175987816.3384 kcal/mol (175778803.8971 without restraints) Performing minimization step: 410. Total energy = 174228306.3128 kcal/mol (174021949.3318 without restraints) Performing minimization step: 411. Total energy = 172491126.7674 kcal/mol (172287385.9321 without restraints) Performing minimization step: 412. Total energy = 170775947.3401 kcal/mol (170574783.9754 without restraints) Performing minimization step: 413. Total energy = 169082443.0361 kcal/mol (168883819.0945 without restraints) Performing minimization step: 414. Total energy = 167410294.1284 kcal/mol (167214172.1785 without restraints) Performing minimization step: 415. Total energy = 165759186.0610 kcal/mol (165565529.2759 without restraints) Performing minimization step: 416. Total energy = 164128809.3544 kcal/mol (163937581.5012 without restraints) Performing minimization step: 417. Total energy = 162518859.5125 kcal/mol (162330024.9408 without restraints) Performing minimization step: 418. Total energy = 160929036.9324 kcal/mol (160742560.5643 without restraints) Performing minimization step: 419. Total energy = 159359046.8157 kcal/mol (159174894.1353 without restraints) Performing minimization step: 420. Total energy = 157808599.0827 kcal/mol (157626736.1258 without restraints) Performing minimization step: 421. Total energy = 156277408.2872 kcal/mol (156097801.6319 without restraints) Performing minimization step: 422. Total energy = 154765193.5345 kcal/mol (154587810.2910 without restraints) Performing minimization step: 423. Total energy = 153271678.4002 kcal/mol (153096486.2019 without restraints) Performing minimization step: 424. Total energy = 151796590.8518 kcal/mol (151623557.8459 without restraints) Performing minimization step: 425. Total energy = 150339663.1710 kcal/mol (150168758.0091 without restraints) Performing minimization step: 426. Total energy = 148900631.8785 kcal/mol (148731823.7087 without restraints) Performing minimization step: 427. Total energy = 147479237.6605 kcal/mol (147312496.1179 without restraints) Performing minimization step: 428. Total energy = 146075225.2959 kcal/mol (145910520.4945 without restraints) Performing minimization step: 429. Total energy = 144688343.5868 kcal/mol (144525646.1113 without restraints) Performing minimization step: 430. Total energy = 143318345.2878 kcal/mol (143157626.1857 without restraints) Performing minimization step: 431. Total energy = 141964987.0397 kcal/mol (141806217.8132 without restraints) Performing minimization step: 432. Total energy = 140628029.3034 kcal/mol (140471181.9014 without restraints) Performing minimization step: 433. Total energy = 139307236.2937 kcal/mol (139152283.1049 without restraints) Performing minimization step: 434. Total energy = 138002375.9182 kcal/mol (137849289.7632 without restraints) Performing minimization step: 435. Total energy = 136713219.7136 kcal/mol (136561973.8379 without restraints) Performing minimization step: 436. Total energy = 135439542.7859 kcal/mol (135290110.8525 without restraints) Performing minimization step: 437. Total energy = 134181123.7504 kcal/mol (134033479.8333 without restraints) Performing minimization step: 438. Total energy = 132937744.6739 kcal/mol (132791863.2511 without restraints) Performing minimization step: 439. Total energy = 131709191.0176 kcal/mol (131565046.9643 without restraints) Performing minimization step: 440. Total energy = 130495251.5811 kcal/mol (130352820.1634 without restraints) Performing minimization step: 441. Total energy = 129295718.4482 kcal/mol (129154975.3167 without restraints) Performing minimization step: 442. Total energy = 128110386.9323 kcal/mol (127971308.1156 without restraints) Performing minimization step: 443. Total energy = 126939055.5249 kcal/mol (126801617.4236 without restraints) Performing minimization step: 444. Total energy = 125781525.8444 kcal/mol (125645705.2252 without restraints) Performing minimization step: 445. Total energy = 124637602.5836 kcal/mol (124503376.5733 without restraints) Performing minimization step: 446. Total energy = 123507093.4625 kcal/mol (123374439.5423 without restraints) Performing minimization step: 447. Total energy = 122389809.1787 kcal/mol (122258705.1782 without restraints) Performing minimization step: 448. Total energy = 121285563.3595 kcal/mol (121155987.4516 without restraints) Performing minimization step: 449. Total energy = 120194172.5165 kcal/mol (120066103.2117 without restraints) Performing minimization step: 450. Total energy = 119115455.9979 kcal/mol (118988872.1388 without restraints) Performing minimization step: 451. Total energy = 118049235.9450 kcal/mol (117924116.7013 without restraints) Performing minimization step: 452. Total energy = 116995337.2476 kcal/mol (116871662.1108 without restraints) Performing minimization step: 453. Total energy = 115953587.5003 kcal/mol (115831336.2788 without restraints) Performing minimization step: 454. Total energy = 114923816.9606 kcal/mol (114802969.7745 without restraints) Performing minimization step: 455. Total energy = 113905858.5066 kcal/mol (113786395.7828 without restraints) Performing minimization step: 456. Total energy = 112899547.5958 kcal/mol (112781450.0635 without restraints) Performing minimization step: 457. Total energy = 111904722.2256 kcal/mol (111787970.9111 without restraints) Performing minimization step: 458. Total energy = 110921222.8926 kcal/mol (110805799.1153 without restraints) Performing minimization step: 459. Total energy = 109948892.5544 kcal/mol (109834777.9215 without restraints) Performing minimization step: 460. Total energy = 108987576.5903 kcal/mol (108874752.9928 without restraints) Performing minimization step: 461. Total energy = 108037122.7650 kcal/mol (107925572.3733 without restraints) Performing minimization step: 462. Total energy = 107097381.1906 kcal/mol (106987086.4501 without restraints) Performing minimization step: 463. Total energy = 106168204.2905 kcal/mol (106059147.9170 without restraints) Performing minimization step: 464. Total energy = 105249446.7635 kcal/mol (105141611.7393 without restraints) Performing minimization step: 465. Total energy = 104340965.5477 kcal/mol (104234335.1177 without restraints) Performing minimization step: 466. Total energy = 103442619.7874 kcal/mol (103337177.4545 without restraints) Performing minimization step: 467. Total energy = 102554270.7975 kcal/mol (102450000.3190 without restraints) Performing minimization step: 468. Total energy = 101675782.0306 kcal/mol (101572667.4142 without restraints) Performing minimization step: 469. Total energy = 100807019.0434 kcal/mol (100705044.5431 without restraints) Performing minimization step: 470. Total energy = 99947849.4646 kcal/mol (99846999.5770 without restraints) Performing minimization step: 471. Total energy = 99098142.9620 kcal/mol (98998402.4227 without restraints) Performing minimization step: 472. Total energy = 98257771.2115 kcal/mol (98159124.9912 without restraints) Performing minimization step: 473. Total energy = 97426607.8658 kcal/mol (97329041.1666 without restraints) Performing minimization step: 474. Total energy = 96604528.5232 kcal/mol (96508026.7752 without restraints) Performing minimization step: 475. Total energy = 95791410.6976 kcal/mol (95695959.5552 without restraints) Performing minimization step: 476. Total energy = 94987133.7895 kcal/mol (94892719.1280 without restraints) Performing minimization step: 477. Total energy = 94191579.0545 kcal/mol (94098186.9664 without restraints) Performing minimization step: 478. Total energy = 93404629.5760 kcal/mol (93312246.3680 without restraints) Performing minimization step: 479. Total energy = 92626170.2369 kcal/mol (92534782.4262 without restraints) Performing minimization step: 480. Total energy = 91856087.6896 kcal/mol (91765682.0008 without restraints) Performing minimization step: 481. Total energy = 91094270.3297 kcal/mol (91004833.6915 without restraints) Performing minimization step: 482. Total energy = 90340608.2681 kcal/mol (90252127.8101 without restraints) Performing minimization step: 483. Total energy = 89594993.3039 kcal/mol (89507456.3533 without restraints) Performing minimization step: 484. Total energy = 88857318.8982 kcal/mol (88770712.9768 without restraints) Performing minimization step: 485. Total energy = 88127480.1471 kcal/mol (88041792.9682 without restraints) Performing minimization step: 486. Total energy = 87405373.7563 kcal/mol (87320593.2218 without restraints) Performing minimization step: 487. Total energy = 86690898.0155 kcal/mol (86607012.2125 without restraints) Performing minimization step: 488. Total energy = 85983952.7731 kcal/mol (85900949.9713 without restraints) Performing minimization step: 489. Total energy = 85284439.4112 kcal/mol (85202308.0601 without restraints) Performing minimization step: 490. Total energy = 84592260.8215 kcal/mol (84510989.5470 without restraints) Performing minimization step: 491. Total energy = 83907321.3807 kcal/mol (83826898.9829 without restraints) Performing minimization step: 492. Total energy = 83229526.9273 kcal/mol (83149942.3772 without restraints) Performing minimization step: 493. Total energy = 82558784.7368 kcal/mol (82480027.1738 without restraints) Performing minimization step: 494. Total energy = 81895003.5001 kcal/mol (81817062.2291 without restraints) Performing minimization step: 495. Total energy = 81238093.2998 kcal/mol (81160957.7890 without restraints) Performing minimization step: 496. Total energy = 80587965.5877 kcal/mol (80511625.4653 without restraints) Performing minimization step: 497. Total energy = 79944533.1634 kcal/mol (79868978.2154 without restraints) Performing minimization step: 498. Total energy = 79307710.1511 kcal/mol (79232930.3187 without restraints) Performing minimization step: 499. Total energy = 78677411.9787 kcal/mol (78603397.3555 without restraints) Performing minimization step: 500. Total energy = 78053555.3567 kcal/mol (77980296.1868 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 501. Total energy = 77436058.2574 kcal/mol (77363544.9323 without restraints) Performing minimization step: 502. Total energy = 76824839.8935 kcal/mol (76753062.9501 without restraints) Performing minimization step: 503. Total energy = 76219820.6985 kcal/mol (76148770.8163 without restraints) Performing minimization step: 504. Total energy = 75620922.3062 kcal/mol (75550590.3059 without restraints) Performing minimization step: 505. Total energy = 75028067.5317 kcal/mol (74958444.3715 without restraints) Performing minimization step: 506. Total energy = 74441180.3507 kcal/mol (74372257.1249 without restraints) Performing minimization step: 507. Total energy = 73860185.8811 kcal/mol (73791953.8179 without restraints) Performing minimization step: 508. Total energy = 73285010.3645 kcal/mol (73217460.8234 without restraints) Performing minimization step: 509. Total energy = 72715581.1470 kcal/mol (72648705.6170 without restraints) Performing minimization step: 510. Total energy = 72151826.6612 kcal/mol (72085616.7582 without restraints) Performing minimization step: 511. Total energy = 71593676.4076 kcal/mol (71528123.8728 without restraints) Performing minimization step: 512. Total energy = 71041060.9380 kcal/mol (70976157.6355 without restraints) Performing minimization step: 513. Total energy = 70493911.8372 kcal/mol (70429649.7520 without restraints) Performing minimization step: 514. Total energy = 69952161.7063 kcal/mol (69888532.9423 without restraints) Performing minimization step: 515. Total energy = 69415744.1453 kcal/mol (69352740.9234 without restraints) Performing minimization step: 516. Total energy = 68884593.7367 kcal/mol (68822208.3929 without restraints) Performing minimization step: 517. Total energy = 68358646.0294 kcal/mol (68296871.0126 without restraints) Performing minimization step: 518. Total energy = 67837837.5221 kcal/mol (67776665.3926 without restraints) Performing minimization step: 519. Total energy = 67322105.6483 kcal/mol (67261529.0756 without restraints) Performing minimization step: 520. Total energy = 66811388.7597 kcal/mol (66751400.5208 without restraints) Performing minimization step: 521. Total energy = 66305626.1115 kcal/mol (66246219.0893 without restraints) Performing minimization step: 522. Total energy = 65804757.8472 kcal/mol (65745925.0284 without restraints) Performing minimization step: 523. Total energy = 65308724.9838 kcal/mol (65250459.4574 without restraints) Performing minimization step: 524. Total energy = 64817469.3974 kcal/mol (64759764.3530 without restraints) Performing minimization step: 525. Total energy = 64330933.8085 kcal/mol (64273782.5345 without restraints) Performing minimization step: 526. Total energy = 63849061.7684 kcal/mol (63792457.6505 without restraints) Performing minimization step: 527. Total energy = 63371797.6449 kcal/mol (63315734.1642 without restraints) Performing minimization step: 528. Total energy = 62899086.6091 kcal/mol (62843557.3408 without restraints) Performing minimization step: 529. Total energy = 62430874.6220 kcal/mol (62375873.2339 without restraints) Performing minimization step: 530. Total energy = 61967108.4208 kcal/mol (61912628.6714 without restraints) Performing minimization step: 531. Total energy = 61507735.5072 kcal/mol (61453771.2445 without restraints) Performing minimization step: 532. Total energy = 61052704.1331 kcal/mol (60999249.2930 without restraints) Performing minimization step: 533. Total energy = 60601963.2898 kcal/mol (60549011.8946 without restraints) Performing minimization step: 534. Total energy = 60155462.6949 kcal/mol (60103008.8521 without restraints) Performing minimization step: 535. Total energy = 59713152.7793 kcal/mol (59661190.6798 without restraints) Performing minimization step: 536. Total energy = 59274984.6785 kcal/mol (59223508.5955 without restraints) Performing minimization step: 537. Total energy = 58840910.2174 kcal/mol (58789914.5051 without restraints) Performing minimization step: 538. Total energy = 58410881.9010 kcal/mol (58360360.9928 without restraints) Performing minimization step: 539. Total energy = 57984852.9026 kcal/mol (57934801.3108 without restraints) Performing minimization step: 540. Total energy = 57562777.0533 kcal/mol (57513189.3666 without restraints) Performing minimization step: 541. Total energy = 57144608.8303 kcal/mol (57095479.7133 without restraints) Performing minimization step: 542. Total energy = 56730303.3472 kcal/mol (56681627.5388 without restraints) Performing minimization step: 543. Total energy = 56319816.3431 kcal/mol (56271588.6556 without restraints) Performing minimization step: 544. Total energy = 55913104.1724 kcal/mol (55865319.4902 without restraints) Performing minimization step: 545. Total energy = 55510123.7952 kcal/mol (55462777.0734 without restraints) Performing minimization step: 546. Total energy = 55110832.7669 kcal/mol (55063919.0304 without restraints) Performing minimization step: 547. Total energy = 54715189.2287 kcal/mol (54668703.5710 without restraints) Performing minimization step: 548. Total energy = 54323151.8983 kcal/mol (54277089.4803 without restraints) Performing minimization step: 549. Total energy = 53934680.0602 kcal/mol (53889036.1092 without restraints) Performing minimization step: 550. Total energy = 53549733.5572 kcal/mol (53504503.3660 without restraints) Performing minimization step: 551. Total energy = 53168272.7807 kcal/mol (53123451.7060 without restraints) Performing minimization step: 552. Total energy = 52790258.6620 kcal/mol (52745842.1240 without restraints) Performing minimization step: 553. Total energy = 52415652.6638 kcal/mol (52371636.1450 without restraints) Performing minimization step: 554. Total energy = 52044416.7719 kcal/mol (52000795.8157 without restraints) Performing minimization step: 555. Total energy = 51676513.4864 kcal/mol (51633283.6966 without restraints) Performing minimization step: 556. Total energy = 51311905.8135 kcal/mol (51269062.8532 without restraints) Performing minimization step: 557. Total energy = 50950557.2580 kcal/mol (50908096.8487 without restraints) Performing minimization step: 558. Total energy = 50592431.8147 kcal/mol (50550349.7351 without restraints) Performing minimization step: 559. Total energy = 50237493.9611 kcal/mol (50195786.0465 without restraints) Performing minimization step: 560. Total energy = 49885708.6494 kcal/mol (49844370.7908 without restraints) Performing minimization step: 561. Total energy = 49537041.2993 kcal/mol (49496069.4425 without restraints) Performing minimization step: 562. Total energy = 49191457.7907 kcal/mol (49150847.9350 without restraints) Performing minimization step: 563. Total energy = 48848924.4560 kcal/mol (48808672.6541 without restraints) Performing minimization step: 564. Total energy = 48509408.0735 kcal/mol (48469510.4301 without restraints) Performing minimization step: 565. Total energy = 48172875.8601 kcal/mol (48133328.5314 without restraints) Performing minimization step: 566. Total energy = 47839295.4648 kcal/mol (47800094.6574 without restraints) Performing minimization step: 567. Total energy = 47508634.9615 kcal/mol (47469776.9319 without restraints) Performing minimization step: 568. Total energy = 47180862.8430 kcal/mol (47142343.8969 without restraints) Performing minimization step: 569. Total energy = 46855948.0138 kcal/mol (46817764.5047 without restraints) Performing minimization step: 570. Total energy = 46533859.7841 kcal/mol (46496008.1135 without restraints) Performing minimization step: 571. Total energy = 46214567.8639 kcal/mol (46177044.4798 without restraints) Performing minimization step: 572. Total energy = 45898042.3562 kcal/mol (45860843.7527 without restraints) Performing minimization step: 573. Total energy = 45584253.7514 kcal/mol (45547376.4681 without restraints) Performing minimization step: 574. Total energy = 45273172.9213 kcal/mol (45236613.5422 without restraints) Performing minimization step: 575. Total energy = 44964771.1128 kcal/mol (44928526.2661 without restraints) Performing minimization step: 576. Total energy = 44659019.9429 kcal/mol (44623086.3001 without restraints) Performing minimization step: 577. Total energy = 44355891.3928 kcal/mol (44320265.6680 without restraints) Performing minimization step: 578. Total energy = 44055357.8020 kcal/mol (44020036.7513 without restraints) Performing minimization step: 579. Total energy = 43757391.8635 kcal/mol (43722372.2844 without restraints) Performing minimization step: 580. Total energy = 43461966.6178 kcal/mol (43427245.3485 without restraints) Performing minimization step: 581. Total energy = 43169055.4487 kcal/mol (43134629.3675 without restraints) Performing minimization step: 582. Total energy = 42878632.0767 kcal/mol (42844498.1015 without restraints) Performing minimization step: 583. Total energy = 42590670.5551 kcal/mol (42556825.6427 without restraints) Performing minimization step: 584. Total energy = 42305145.2644 kcal/mol (42271586.4101 without restraints) Performing minimization step: 585. Total energy = 42022030.9075 kcal/mol (41988755.1443 without restraints) Performing minimization step: 586. Total energy = 41741302.5060 kcal/mol (41708306.9038 without restraints) Performing minimization step: 587. Total energy = 41462935.3931 kcal/mol (41430217.0591 without restraints) Performing minimization step: 588. Total energy = 41186905.2113 kcal/mol (41154461.2884 without restraints) Performing minimization step: 589. Total energy = 40913187.9067 kcal/mol (40881015.5734 without restraints) Performing minimization step: 590. Total energy = 40641759.7245 kcal/mol (40609856.1945 without restraints) Performing minimization step: 591. Total energy = 40372597.2049 kcal/mol (40340959.7264 without restraints) Performing minimization step: 592. Total energy = 40105677.1788 kcal/mol (40074303.0340 without restraints) Performing minimization step: 593. Total energy = 39840976.7637 kcal/mol (39809863.2684 without restraints) Performing minimization step: 594. Total energy = 39578473.3586 kcal/mol (39547617.8616 without restraints) Performing minimization step: 595. Total energy = 39318144.6408 kcal/mol (39287544.5236 without restraints) Performing minimization step: 596. Total energy = 39059968.5615 kcal/mol (39029621.2376 without restraints) Performing minimization step: 597. Total energy = 38803923.3421 kcal/mol (38773826.2567 without restraints) Performing minimization step: 598. Total energy = 38549987.4698 kcal/mol (38520138.0991 without restraints) Performing minimization step: 599. Total energy = 38298139.6941 kcal/mol (38268535.5452 without restraints) Performing minimization step: 600. Total energy = 38048359.0229 kcal/mol (38018997.6332 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 601. Total energy = 37800624.7189 kcal/mol (37771503.6556 without restraints) Performing minimization step: 602. Total energy = 37554916.2962 kcal/mol (37526033.1559 without restraints) Performing minimization step: 603. Total energy = 37311213.5154 kcal/mol (37282565.9236 without restraints) Performing minimization step: 604. Total energy = 37069496.3818 kcal/mol (37041081.9928 without restraints) Performing minimization step: 605. Total energy = 36829745.1410 kcal/mol (36801561.6371 without restraints) Performing minimization step: 606. Total energy = 36591940.2754 kcal/mol (36563985.3668 without restraints) Performing minimization step: 607. Total energy = 36356062.5014 kcal/mol (36328333.9256 without restraints) Performing minimization step: 608. Total energy = 36122092.7654 kcal/mol (36094588.2869 without restraints) Performing minimization step: 609. Total energy = 35890012.2409 kcal/mol (35862729.6508 without restraints) Performing minimization step: 610. Total energy = 35659802.3255 kcal/mol (35632739.4412 without restraints) Performing minimization step: 611. Total energy = 35431444.6375 kcal/mol (35404599.3022 without restraints) Performing minimization step: 612. Total energy = 35204921.0124 kcal/mol (35178291.0950 without restraints) Performing minimization step: 613. Total energy = 34980213.5005 kcal/mol (34953796.8946 without restraints) Performing minimization step: 614. Total energy = 34757304.3638 kcal/mol (34731098.9882 without restraints) Performing minimization step: 615. Total energy = 34536176.0727 kcal/mol (34510179.8705 without restraints) Performing minimization step: 616. Total energy = 34316811.3034 kcal/mol (34291022.2419 without restraints) Performing minimization step: 617. Total energy = 34099192.9350 kcal/mol (34073609.0052 without restraints) Performing minimization step: 618. Total energy = 33883304.0465 kcal/mol (33857923.2628 without restraints) Performing minimization step: 619. Total energy = 33669127.9143 kcal/mol (33643948.3143 without restraints) Performing minimization step: 620. Total energy = 33456648.0090 kcal/mol (33431667.6531 without restraints) Performing minimization step: 621. Total energy = 33245847.9934 kcal/mol (33221064.9644 without restraints) Performing minimization step: 622. Total energy = 33036711.7193 kcal/mol (33012124.1224 without restraints) Performing minimization step: 623. Total energy = 32829223.2253 kcal/mol (32804829.1872 without restraints) Performing minimization step: 624. Total energy = 32623366.7339 kcal/mol (32599164.4032 without restraints) Performing minimization step: 625. Total energy = 32419126.6490 kcal/mol (32395114.1954 without restraints) Performing minimization step: 626. Total energy = 32216487.5538 kcal/mol (32192663.1682 without restraints) Performing minimization step: 627. Total energy = 32015434.2079 kcal/mol (31991796.1017 without restraints) Performing minimization step: 628. Total energy = 31815951.5454 kcal/mol (31792497.9505 without restraints) Performing minimization step: 629. Total energy = 31618024.6725 kcal/mol (31594753.8408 without restraints) Performing minimization step: 630. Total energy = 31421638.8641 kcal/mol (31398549.0677 without restraints) Performing minimization step: 631. Total energy = 31226779.5631 kcal/mol (31203869.0934 without restraints) Performing minimization step: 632. Total energy = 31033432.3771 kcal/mol (31010699.5451 without restraints) Performing minimization step: 633. Total energy = 30841583.0763 kcal/mol (30819026.2118 without restraints) Performing minimization step: 634. Total energy = 30651217.5917 kcal/mol (30628835.0436 without restraints) Performing minimization step: 635. Total energy = 30462322.0128 kcal/mol (30440112.1484 without restraints) Performing minimization step: 636. Total energy = 30274882.5854 kcal/mol (30252843.7904 without restraints) Performing minimization step: 637. Total energy = 30088885.7095 kcal/mol (30067016.3876 without restraints) Performing minimization step: 638. Total energy = 29904317.9373 kcal/mol (29882616.5103 without restraints) Performing minimization step: 639. Total energy = 29721165.9715 kcal/mol (29699630.8784 without restraints) Performing minimization step: 640. Total energy = 29539416.6622 kcal/mol (29518046.3596 without restraints) Performing minimization step: 641. Total energy = 29359057.0063 kcal/mol (29337849.9681 without restraints) Performing minimization step: 642. Total energy = 29180074.1451 kcal/mol (29159028.8619 without restraints) Performing minimization step: 643. Total energy = 29002455.3620 kcal/mol (28981570.3411 without restraints) Performing minimization step: 644. Total energy = 28826188.0809 kcal/mol (28805461.8462 without restraints) Performing minimization step: 645. Total energy = 28651259.8648 kcal/mol (28630690.9563 without restraints) Performing minimization step: 646. Total energy = 28477658.4131 kcal/mol (28457245.3870 without restraints) Performing minimization step: 647. Total energy = 28305371.5605 kcal/mol (28285112.9888 without restraints) Performing minimization step: 648. Total energy = 28134387.2750 kcal/mol (28114281.7453 without restraints) Performing minimization step: 649. Total energy = 27964693.6563 kcal/mol (27944739.7717 without restraints) Performing minimization step: 650. Total energy = 27796278.9337 kcal/mol (27776475.3125 without restraints) Performing minimization step: 651. Total energy = 27629131.4651 kcal/mol (27609476.7405 without restraints) Performing minimization step: 652. Total energy = 27463239.7346 kcal/mol (27443732.5548 without restraints) Performing minimization step: 653. Total energy = 27298592.3513 kcal/mol (27279231.3792 without restraints) Performing minimization step: 654. Total energy = 27135178.0478 kcal/mol (27115961.9606 without restraints) Performing minimization step: 655. Total energy = 26972985.6782 kcal/mol (26953913.1674 without restraints) Performing minimization step: 656. Total energy = 26812004.2169 kcal/mol (26793073.9882 without restraints) Performing minimization step: 657. Total energy = 26652222.7569 kcal/mol (26633433.5298 without restraints) Performing minimization step: 658. Total energy = 26493630.5082 kcal/mol (26474981.0160 without restraints) Performing minimization step: 659. Total energy = 26336216.7965 kcal/mol (26317705.7859 without restraints) Performing minimization step: 660. Total energy = 26179971.0617 kcal/mol (26161597.2932 without restraints) Performing minimization step: 661. Total energy = 26024882.8568 kcal/mol (26006645.1036 without restraints) Performing minimization step: 662. Total energy = 25870941.8451 kcal/mol (25852838.8938 without restraints) Performing minimization step: 663. Total energy = 25718137.8005 kcal/mol (25700168.4505 without restraints) Performing minimization step: 664. Total energy = 25566460.6054 kcal/mol (25548623.6689 without restraints) Performing minimization step: 665. Total energy = 25415900.2492 kcal/mol (25398194.5507 without restraints) Performing minimization step: 666. Total energy = 25266446.8268 kcal/mol (25248871.2035 without restraints) Performing minimization step: 667. Total energy = 25118090.5376 kcal/mol (25100643.8388 without restraints) Performing minimization step: 668. Total energy = 24970821.6846 kcal/mol (24953502.7718 without restraints) Performing minimization step: 669. Total energy = 24824630.6724 kcal/mol (24807438.4189 without restraints) Performing minimization step: 670. Total energy = 24679508.0063 kcal/mol (24662441.2973 without restraints) Performing minimization step: 671. Total energy = 24535444.2906 kcal/mol (24518502.0230 without restraints) Performing minimization step: 672. Total energy = 24392430.2284 kcal/mol (24375611.3105 without restraints) Performing minimization step: 673. Total energy = 24250456.6188 kcal/mol (24233759.9702 without restraints) Performing minimization step: 674. Total energy = 24109514.3572 kcal/mol (24092938.9089 without restraints) Performing minimization step: 675. Total energy = 23969594.4334 kcal/mol (23953139.1275 without restraints) Performing minimization step: 676. Total energy = 23830687.9306 kcal/mol (23814351.7200 without restraints) Performing minimization step: 677. Total energy = 23692786.0242 kcal/mol (23676567.8727 without restraints) Performing minimization step: 678. Total energy = 23555879.9806 kcal/mol (23539778.8627 without restraints) Performing minimization step: 679. Total energy = 23419961.1562 kcal/mol (23403976.0570 without restraints) Performing minimization step: 680. Total energy = 23285020.9964 kcal/mol (23269150.9113 without restraints) Performing minimization step: 681. Total energy = 23151051.0341 kcal/mol (23135294.9688 without restraints) Performing minimization step: 682. Total energy = 23018042.8894 kcal/mol (23002399.8599 without restraints) Performing minimization step: 683. Total energy = 22885988.2678 kcal/mol (22870457.3001 without restraints) Performing minimization step: 684. Total energy = 22754878.9593 kcal/mol (22739459.0893 without restraints) Performing minimization step: 685. Total energy = 22624706.8379 kcal/mol (22609397.1113 without restraints) Performing minimization step: 686. Total energy = 22495463.8598 kcal/mol (22480263.3320 without restraints) Performing minimization step: 687. Total energy = 22367142.0630 kcal/mol (22352049.7991 without restraints) Performing minimization step: 688. Total energy = 22239733.5663 kcal/mol (22224748.6407 without restraints) Performing minimization step: 689. Total energy = 22113230.5678 kcal/mol (22098352.0643 without restraints) Performing minimization step: 690. Total energy = 21987625.3448 kcal/mol (21972852.3564 without restraints) Performing minimization step: 691. Total energy = 21862910.2519 kcal/mol (21848241.8809 without restraints) Performing minimization step: 692. Total energy = 21739077.7210 kcal/mol (21724513.0784 without restraints) Performing minimization step: 693. Total energy = 21616120.2596 kcal/mol (21601658.4657 without restraints) Performing minimization step: 694. Total energy = 21494030.4506 kcal/mol (21479670.6341 without restraints) Performing minimization step: 695. Total energy = 21372800.9507 kcal/mol (21358542.2493 without restraints) Performing minimization step: 696. Total energy = 21252424.4900 kcal/mol (21238266.0499 without restraints) Performing minimization step: 697. Total energy = 21132893.8711 kcal/mol (21118834.8469 without restraints) Performing minimization step: 698. Total energy = 21014201.9686 kcal/mol (21000241.5236 without restraints) Performing minimization step: 699. Total energy = 20896341.7267 kcal/mol (20882479.0322 without restraints) Performing minimization step: 700. Total energy = 20779306.1604 kcal/mol (20765540.3960 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 701. Total energy = 20663088.3536 kcal/mol (20649418.7070 without restraints) Performing minimization step: 702. Total energy = 20547681.4584 kcal/mol (20534107.1254 without restraints) Performing minimization step: 703. Total energy = 20433078.6946 kcal/mol (20419598.8787 without restraints) Performing minimization step: 704. Total energy = 20319273.3487 kcal/mol (20305887.2614 without restraints) Performing minimization step: 705. Total energy = 20206258.7726 kcal/mol (20192965.6332 without restraints) Performing minimization step: 706. Total energy = 20094028.3838 kcal/mol (20080827.4191 without restraints) Performing minimization step: 707. Total energy = 19982575.6642 kcal/mol (19969466.1086 without restraints) Performing minimization step: 708. Total energy = 19871894.1595 kcal/mol (19858875.2550 without restraints) Performing minimization step: 709. Total energy = 19761977.4783 kcal/mol (19749048.4740 without restraints) Performing minimization step: 710. Total energy = 19652819.2911 kcal/mol (19639979.4437 without restraints) Performing minimization step: 711. Total energy = 19544413.3303 kcal/mol (19531661.9035 without restraints) Performing minimization step: 712. Total energy = 19436753.3889 kcal/mol (19424089.6537 without restraints) Performing minimization step: 713. Total energy = 19329833.3201 kcal/mol (19317256.5545 without restraints) Performing minimization step: 714. Total energy = 19223647.0366 kcal/mol (19211156.5256 without restraints) Performing minimization step: 715. Total energy = 19118188.5097 kcal/mol (19105783.5450 without restraints) Performing minimization step: 716. Total energy = 19013451.7688 kcal/mol (19001131.6492 without restraints) Performing minimization step: 717. Total energy = 18909430.9009 kcal/mol (18897194.9318 without restraints) Performing minimization step: 718. Total energy = 18806120.0497 kcal/mol (18793967.5433 without restraints) Performing minimization step: 719. Total energy = 18703513.4151 kcal/mol (18691443.6899 without restraints) Performing minimization step: 720. Total energy = 18601605.2525 kcal/mol (18589617.6337 without restraints) Performing minimization step: 721. Total energy = 18500389.8721 kcal/mol (18488483.6915 without restraints) Performing minimization step: 722. Total energy = 18399861.6383 kcal/mol (18388036.2338 without restraints) Performing minimization step: 723. Total energy = 18300014.9699 kcal/mol (18288269.6858 without restraints) Performing minimization step: 724. Total energy = 18200844.3379 kcal/mol (18189178.5248 without restraints) Performing minimization step: 725. Total energy = 18102344.2662 kcal/mol (18090757.2808 without restraints) Performing minimization step: 726. Total energy = 18004509.3305 kcal/mol (17993000.5355 without restraints) Performing minimization step: 727. Total energy = 17907334.1579 kcal/mol (17895902.9222 without restraints) Performing minimization step: 728. Total energy = 17810813.4263 kcal/mol (17799459.1247 without restraints) Performing minimization step: 729. Total energy = 17714941.8636 kcal/mol (17703663.8767 without restraints) Performing minimization step: 730. Total energy = 17619714.2477 kcal/mol (17608511.9620 without restraints) Performing minimization step: 731. Total energy = 17525125.4053 kcal/mol (17513998.2131 without restraints) Performing minimization step: 732. Total energy = 17431170.2118 kcal/mol (17420117.5111 without restraints) Performing minimization step: 733. Total energy = 17337843.5907 kcal/mol (17326864.7851 without restraints) Performing minimization step: 734. Total energy = 17245140.5128 kcal/mol (17234235.0115 without restraints) Performing minimization step: 735. Total energy = 17153055.9963 kcal/mol (17142223.2139 without restraints) Performing minimization step: 736. Total energy = 17061585.1054 kcal/mol (17050824.4622 without restraints) Performing minimization step: 737. Total energy = 16970722.9504 kcal/mol (16960033.8719 without restraints) Performing minimization step: 738. Total energy = 16880464.6876 kcal/mol (16869846.6047 without restraints) Performing minimization step: 739. Total energy = 16790805.5177 kcal/mol (16780257.8665 without restraints) Performing minimization step: 740. Total energy = 16701740.6863 kcal/mol (16691262.9083 without restraints) Performing minimization step: 741. Total energy = 16613265.4822 kcal/mol (16602857.0237 without restraints) Performing minimization step: 742. Total energy = 16525375.2390 kcal/mol (16515035.5522 without restraints) Performing minimization step: 743. Total energy = 16438065.3325 kcal/mol (16427793.8739 without restraints) Performing minimization step: 744. Total energy = 16351331.1815 kcal/mol (16341127.4128 without restraints) Performing minimization step: 745. Total energy = 16265168.2468 kcal/mol (16255031.6346 without restraints) Performing minimization step: 746. Total energy = 16179572.0309 kcal/mol (16169502.0470 without restraints) Performing minimization step: 747. Total energy = 16094538.0777 kcal/mol (16084534.1984 without restraints) Performing minimization step: 748. Total energy = 16010061.9719 kcal/mol (16000123.6785 without restraints) Performing minimization step: 749. Total energy = 15926139.3388 kcal/mol (15916266.1173 without restraints) Performing minimization step: 750. Total energy = 15842765.8430 kcal/mol (15832957.1840 without restraints) Performing minimization step: 751. Total energy = 15759937.1893 kcal/mol (15750192.5883 without restraints) Performing minimization step: 752. Total energy = 15677649.1216 kcal/mol (15667968.0783 without restraints) Performing minimization step: 753. Total energy = 15595897.4221 kcal/mol (15586279.4410 without restraints) Performing minimization step: 754. Total energy = 15514677.9120 kcal/mol (15505122.5021 without restraints) Performing minimization step: 755. Total energy = 15433986.4495 kcal/mol (15424493.1242 without restraints) Performing minimization step: 756. Total energy = 15353818.9311 kcal/mol (15344387.2082 without restraints) Performing minimization step: 757. Total energy = 15274171.2900 kcal/mol (15264800.6917 without restraints) Performing minimization step: 758. Total energy = 15195039.4965 kcal/mol (15185729.5493 without restraints) Performing minimization step: 759. Total energy = 15116419.5567 kcal/mol (15107169.7912 without restraints) Performing minimization step: 760. Total energy = 15038307.5131 kcal/mol (15029117.4644 without restraints) Performing minimization step: 761. Total energy = 14960699.4435 kcal/mol (14951568.6508 without restraints) Performing minimization step: 762. Total energy = 14883591.4616 kcal/mol (14874519.4681 without restraints) Performing minimization step: 763. Total energy = 14806979.7152 kcal/mol (14797966.0683 without restraints) Performing minimization step: 764. Total energy = 14730860.3866 kcal/mol (14721904.6379 without restraints) Performing minimization step: 765. Total energy = 14655229.6932 kcal/mol (14646331.3980 without restraints) Performing minimization step: 766. Total energy = 14580083.8852 kcal/mol (14571242.6029 without restraints) Performing minimization step: 767. Total energy = 14505419.2468 kcal/mol (14496634.5409 without restraints) Performing minimization step: 768. Total energy = 14431232.0948 kcal/mol (14422503.5323 without restraints) Performing minimization step: 769. Total energy = 14357518.7789 kcal/mol (14348845.9310 without restraints) Performing minimization step: 770. Total energy = 14284275.6819 kcal/mol (14275658.1235 without restraints) Performing minimization step: 771. Total energy = 14211499.2180 kcal/mol (14202936.5277 without restraints) Performing minimization step: 772. Total energy = 14139185.8334 kcal/mol (14130677.5938 without restraints) Performing minimization step: 773. Total energy = 14067332.0058 kcal/mol (14058877.8026 without restraints) Performing minimization step: 774. Total energy = 13995934.2436 kcal/mol (13987533.6669 without restraints) Performing minimization step: 775. Total energy = 13924989.0865 kcal/mol (13916641.7295 without restraints) Performing minimization step: 776. Total energy = 13854493.1049 kcal/mol (13846198.5646 without restraints) Performing minimization step: 777. Total energy = 13784442.8989 kcal/mol (13776200.7757 without restraints) Performing minimization step: 778. Total energy = 13714835.0987 kcal/mol (13706644.9966 without restraints) Performing minimization step: 779. Total energy = 13645666.3639 kcal/mol (13637527.8904 without restraints) Performing minimization step: 780. Total energy = 13576933.3836 kcal/mol (13568846.1497 without restraints) Performing minimization step: 781. Total energy = 13508632.8758 kcal/mol (13500596.4958 without restraints) Performing minimization step: 782. Total energy = 13440761.5874 kcal/mol (13432775.6789 without restraints) Performing minimization step: 783. Total energy = 13373316.2935 kcal/mol (13365380.4775 without restraints) Performing minimization step: 784. Total energy = 13306293.7972 kcal/mol (13298407.6981 without restraints) Performing minimization step: 785. Total energy = 13239690.9296 kcal/mol (13231854.1750 without restraints) Performing minimization step: 786. Total energy = 13173504.5496 kcal/mol (13165716.7703 without restraints) Performing minimization step: 787. Total energy = 13107731.5431 kcal/mol (13099992.3732 without restraints) Performing minimization step: 788. Total energy = 13042368.8231 kcal/mol (13034677.8998 without restraints) Performing minimization step: 789. Total energy = 12977413.3294 kcal/mol (12969770.2930 without restraints) Performing minimization step: 790. Total energy = 12912862.0283 kcal/mol (12905266.5223 without restraints) Performing minimization step: 791. Total energy = 12848711.9122 kcal/mol (12841163.5832 without restraints) Performing minimization step: 792. Total energy = 12784959.9996 kcal/mol (12777458.4971 without restraints) Performing minimization step: 793. Total energy = 12721603.3347 kcal/mol (12714148.3114 without restraints) Performing minimization step: 794. Total energy = 12658638.9871 kcal/mol (12651230.0985 without restraints) Performing minimization step: 795. Total energy = 12596064.0515 kcal/mol (12588700.9563 without restraints) Performing minimization step: 796. Total energy = 12533875.6479 kcal/mol (12526558.0075 without restraints) Performing minimization step: 797. Total energy = 12472070.9206 kcal/mol (12464798.3996 without restraints) Performing minimization step: 798. Total energy = 12410647.0388 kcal/mol (12403419.3042 without restraints) Performing minimization step: 799. Total energy = 12349601.1951 kcal/mol (12342417.9171 without restraints) Performing minimization step: 800. Total energy = 12288930.6073 kcal/mol (12281791.4589 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 801. Total energy = 12228632.5161 kcal/mol (12221537.1731 without restraints) Performing minimization step: 802. Total energy = 12168704.1860 kcal/mol (12161652.3267 without restraints) Performing minimization step: 803. Total energy = 12109142.9046 kcal/mol (12102134.2104 without restraints) Performing minimization step: 804. Total energy = 12049945.9829 kcal/mol (12042980.1377 without restraints) Performing minimization step: 805. Total energy = 11991110.7544 kcal/mol (11984187.4447 without restraints) Performing minimization step: 806. Total energy = 11932634.5754 kcal/mol (11925753.4906 without restraints) Performing minimization step: 807. Total energy = 11874514.8245 kcal/mol (11867675.6565 without restraints) Performing minimization step: 808. Total energy = 11816748.9026 kcal/mol (11809951.3459 without restraints) Performing minimization step: 809. Total energy = 11759334.2325 kcal/mol (11752577.9842 without restraints) Performing minimization step: 810. Total energy = 11702268.2588 kcal/mol (11695553.0184 without restraints) Performing minimization step: 811. Total energy = 11645548.4474 kcal/mol (11638873.9173 without restraints) Performing minimization step: 812. Total energy = 11589172.2859 kcal/mol (11582538.1707 without restraints) Performing minimization step: 813. Total energy = 11533137.2829 kcal/mol (11526543.2897 without restraints) Performing minimization step: 814. Total energy = 11477440.9676 kcal/mol (11470886.8060 without restraints) Performing minimization step: 815. Total energy = 11422080.8905 kcal/mol (11415566.2726 without restraints) Performing minimization step: 816. Total energy = 11367054.6222 kcal/mol (11360579.2625 without restraints) Performing minimization step: 817. Total energy = 11312359.7537 kcal/mol (11305923.3690 without restraints) Performing minimization step: 818. Total energy = 11257993.8963 kcal/mol (11251596.2058 without restraints) Performing minimization step: 819. Total energy = 11203954.6809 kcal/mol (11197595.4062 without restraints) Performing minimization step: 820. Total energy = 11150239.7584 kcal/mol (11143918.6234 without restraints) Performing minimization step: 821. Total energy = 11096846.7996 kcal/mol (11090563.5305 without restraints) Performing minimization step: 822. Total energy = 11043773.4936 kcal/mol (11037527.8188 without restraints) Performing minimization step: 823. Total energy = 10991017.5495 kcal/mol (10984809.1998 without restraints) Performing minimization step: 824. Total energy = 10938576.6955 kcal/mol (10932405.4037 without restraints) Performing minimization step: 825. Total energy = 10886448.6782 kcal/mol (10880314.1794 without restraints) Performing minimization step: 826. Total energy = 10834631.2630 kcal/mol (10828533.2947 without restraints) Performing minimization step: 827. Total energy = 10783122.2338 kcal/mol (10777060.5354 without restraints) Performing minimization step: 828. Total energy = 10731919.3927 kcal/mol (10725893.7059 without restraints) Performing minimization step: 829. Total energy = 10681020.5600 kcal/mol (10675030.6286 without restraints) Performing minimization step: 830. Total energy = 10630423.5739 kcal/mol (10624469.1437 without restraints) Performing minimization step: 831. Total energy = 10580126.2903 kcal/mol (10574207.1093 without restraints) Performing minimization step: 832. Total energy = 10530126.5829 kcal/mol (10524242.4011 without restraints) Performing minimization step: 833. Total energy = 10480422.3425 kcal/mol (10474572.9121 without restraints) Performing minimization step: 834. Total energy = 10431011.4775 kcal/mol (10425196.5525 without restraints) Performing minimization step: 835. Total energy = 10381891.9132 kcal/mol (10376111.2498 without restraints) Performing minimization step: 836. Total energy = 10333061.5919 kcal/mol (10327314.9482 without restraints) Performing minimization step: 837. Total energy = 10284518.4728 kcal/mol (10278805.6089 without restraints) Performing minimization step: 838. Total energy = 10236260.5317 kcal/mol (10230581.2096 without restraints) Performing minimization step: 839. Total energy = 10188285.7605 kcal/mol (10182639.7442 without restraints) Performing minimization step: 840. Total energy = 10140592.1678 kcal/mol (10134979.2233 without restraints) Performing minimization step: 841. Total energy = 10093177.7784 kcal/mol (10087597.6733 without restraints) Performing minimization step: 842. Total energy = 10046040.6330 kcal/mol (10040493.1373 without restraints) Performing minimization step: 843. Total energy = 9999178.7879 kcal/mol (9993663.6728 without restraints) Performing minimization step: 844. Total energy = 9952590.3156 kcal/mol (9947107.3545 without restraints) Performing minimization step: 845. Total energy = 9906273.3038 kcal/mol (9900822.2721 without restraints) Performing minimization step: 846. Total energy = 9860225.8559 kcal/mol (9854806.5304 without restraints) Performing minimization step: 847. Total energy = 9814446.0902 kcal/mol (9809058.2499 without restraints) Performing minimization step: 848. Total energy = 9768932.1405 kcal/mol (9763575.5659 without restraints) Performing minimization step: 849. Total energy = 9723682.1552 kcal/mol (9718356.6287 without restraints) Performing minimization step: 850. Total energy = 9678694.2983 kcal/mol (9673399.6040 without restraints) Performing minimization step: 851. Total energy = 9633966.7474 kcal/mol (9628702.6712 without restraints) Performing minimization step: 852. Total energy = 9589497.6964 kcal/mol (9584264.0257 without restraints) Performing minimization step: 853. Total energy = 9545285.3515 kcal/mol (9540081.8756 without restraints) Performing minimization step: 854. Total energy = 9501327.9342 kcal/mol (9496154.4440 without restraints) Performing minimization step: 855. Total energy = 9457623.6806 kcal/mol (9452479.9688 without restraints) Performing minimization step: 856. Total energy = 9414170.8403 kcal/mol (9409056.7010 without restraints) Performing minimization step: 857. Total energy = 9370967.6774 kcal/mol (9365882.9065 without restraints) Performing minimization step: 858. Total energy = 9328012.4694 kcal/mol (9322956.8645 without restraints) Performing minimization step: 859. Total energy = 9285303.5069 kcal/mol (9280276.8670 without restraints) Performing minimization step: 860. Total energy = 9242839.0949 kcal/mol (9237841.2208 without restraints) Performing minimization step: 861. Total energy = 9200617.5515 kcal/mol (9195648.2453 without restraints) Performing minimization step: 862. Total energy = 9158637.2081 kcal/mol (9153696.2738 without restraints) Performing minimization step: 863. Total energy = 9116896.4093 kcal/mol (9111983.6522 without restraints) Performing minimization step: 864. Total energy = 9075393.5128 kcal/mol (9070508.7398 without restraints) Performing minimization step: 865. Total energy = 9034126.8890 kcal/mol (9029269.9085 without restraints) Performing minimization step: 866. Total energy = 8993094.9214 kcal/mol (8988265.5434 without restraints) Performing minimization step: 867. Total energy = 8952296.0060 kcal/mol (8947494.0419 without restraints) Performing minimization step: 868. Total energy = 8911728.5517 kcal/mol (8906953.8145 without restraints) Performing minimization step: 869. Total energy = 8871390.9793 kcal/mol (8866643.2832 without restraints) Performing minimization step: 870. Total energy = 8831281.7223 kcal/mol (8826560.8831 without restraints) Performing minimization step: 871. Total energy = 8791399.2264 kcal/mol (8786705.0615 without restraints) Performing minimization step: 872. Total energy = 8751741.9496 kcal/mol (8747074.2776 without restraints) Performing minimization step: 873. Total energy = 8712308.3617 kcal/mol (8707667.0028 without restraints) Performing minimization step: 874. Total energy = 8673096.9446 kcal/mol (8668481.7202 without restraints) Performing minimization step: 875. Total energy = 8634106.1918 kcal/mol (8629516.9248 without restraints) Performing minimization step: 876. Total energy = 8595334.6087 kcal/mol (8590771.1234 without restraints) Performing minimization step: 877. Total energy = 8556780.7121 kcal/mol (8552242.8342 without restraints) Performing minimization step: 878. Total energy = 8518443.0307 kcal/mol (8513930.5871 without restraints) Performing minimization step: 879. Total energy = 8480320.1040 kcal/mol (8475832.9229 without restraints) Performing minimization step: 880. Total energy = 8442410.4831 kcal/mol (8437948.3943 without restraints) Performing minimization step: 881. Total energy = 8404712.7304 kcal/mol (8400275.5648 without restraints) Performing minimization step: 882. Total energy = 8367225.4190 kcal/mol (8362813.0089 without restraints) Performing minimization step: 883. Total energy = 8329947.1337 kcal/mol (8325559.3127 without restraints) Performing minimization step: 884. Total energy = 8292876.4698 kcal/mol (8288513.0726 without restraints) Performing minimization step: 885. Total energy = 8256012.0331 kcal/mol (8251672.8959 without restraints) Performing minimization step: 886. Total energy = 8219352.4406 kcal/mol (8215037.4007 without restraints) Performing minimization step: 887. Total energy = 8182896.3195 kcal/mol (8178605.2156 without restraints) Performing minimization step: 888. Total energy = 8146642.3079 kcal/mol (8142374.9798 without restraints) Performing minimization step: 889. Total energy = 8110589.0541 kcal/mol (8106345.3428 without restraints) Performing minimization step: 890. Total energy = 8074735.2167 kcal/mol (8070514.9646 without restraints) Performing minimization step: 891. Total energy = 8039079.4648 kcal/mol (8034882.5153 without restraints) Performing minimization step: 892. Total energy = 8003620.4773 kcal/mol (7999446.6751 without restraints) Performing minimization step: 893. Total energy = 7968356.9435 kcal/mol (7964206.1346 without restraints) Performing minimization step: 894. Total energy = 7933287.5626 kcal/mol (7929159.5939 without restraints) Performing minimization step: 895. Total energy = 7898411.0436 kcal/mol (7894305.7632 without restraints) Performing minimization step: 896. Total energy = 7863726.1052 kcal/mol (7859643.3627 without restraints) Performing minimization step: 897. Total energy = 7829231.4763 kcal/mol (7825171.1220 without restraints) Performing minimization step: 898. Total energy = 7794925.8949 kcal/mol (7790887.7806 without restraints) Performing minimization step: 899. Total energy = 7760808.1089 kcal/mol (7756792.0873 without restraints) Performing minimization step: 900. Total energy = 7726876.8757 kcal/mol (7722882.8006 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 901. Total energy = 7693130.9617 kcal/mol (7689158.6883 without restraints) Performing minimization step: 902. Total energy = 7659569.1431 kcal/mol (7655618.5273 without restraints) Performing minimization step: 903. Total energy = 7626190.2052 kcal/mol (7622261.1041 without restraints) Performing minimization step: 904. Total energy = 7592992.9422 kcal/mol (7589085.2142 without restraints) Performing minimization step: 905. Total energy = 7559976.1579 kcal/mol (7556089.6623 without restraints) Performing minimization step: 906. Total energy = 7527138.6646 kcal/mol (7523273.2616 without restraints) Performing minimization step: 907. Total energy = 7494479.2837 kcal/mol (7490634.8347 without restraints) Performing minimization step: 908. Total energy = 7461996.8455 kcal/mol (7458173.2131 without restraints) Performing minimization step: 909. Total energy = 7429690.1892 kcal/mol (7425887.2369 without restraints) Performing minimization step: 910. Total energy = 7397558.1626 kcal/mol (7393775.7548 without restraints) Performing minimization step: 911. Total energy = 7365599.6220 kcal/mol (7361837.6243 without restraints) Performing minimization step: 912. Total energy = 7333813.4326 kcal/mol (7330071.7115 without restraints) Performing minimization step: 913. Total energy = 7302198.4679 kcal/mol (7298476.8910 without restraints) Performing minimization step: 914. Total energy = 7270753.6098 kcal/mol (7267052.0457 without restraints) Performing minimization step: 915. Total energy = 7239477.7484 kcal/mol (7235796.0664 without restraints) Performing minimization step: 916. Total energy = 7208369.7823 kcal/mol (7204707.8529 without restraints) Performing minimization step: 917. Total energy = 7177428.6184 kcal/mol (7173786.3131 without restraints) Performing minimization step: 918. Total energy = 7146653.1714 kcal/mol (7143030.3627 without restraints) Performing minimization step: 919. Total energy = 7116042.3650 kcal/mol (7112438.9261 without restraints) Performing minimization step: 920. Total energy = 7085595.1295 kcal/mol (7082010.9348 without restraints) Performing minimization step: 921. Total energy = 7055310.4042 kcal/mol (7051745.3289 without restraints) Performing minimization step: 922. Total energy = 7025187.1361 kcal/mol (7021641.0564 without restraints) Performing minimization step: 923. Total energy = 6995224.2799 kcal/mol (6991697.0728 without restraints) Performing minimization step: 924. Total energy = 6965420.7980 kcal/mol (6961912.3416 without restraints) Performing minimization step: 925. Total energy = 6935775.6609 kcal/mol (6932285.8340 without restraints) Performing minimization step: 926. Total energy = 6906287.8459 kcal/mol (6902816.5283 without restraints) Performing minimization step: 927. Total energy = 6876956.3387 kcal/mol (6873503.4112 without restraints) Performing minimization step: 928. Total energy = 6847780.1322 kcal/mol (6844345.4763 without restraints) Performing minimization step: 929. Total energy = 6818758.2271 kcal/mol (6815341.7253 without restraints) Performing minimization step: 930. Total energy = 6789889.6306 kcal/mol (6786491.1662 without restraints) Performing minimization step: 931. Total energy = 6761173.3581 kcal/mol (6757792.8152 without restraints) Performing minimization step: 932. Total energy = 6732608.4322 kcal/mol (6729245.6959 without restraints) Performing minimization step: 933. Total energy = 6704193.8821 kcal/mol (6700848.8382 without restraints) Performing minimization step: 934. Total energy = 6675928.7448 kcal/mol (6672601.2802 without restraints) Performing minimization step: 935. Total energy = 6647812.0642 kcal/mol (6644502.0663 without restraints) Performing minimization step: 936. Total energy = 6619842.8914 kcal/mol (6616550.2487 without restraints) Performing minimization step: 937. Total energy = 6592020.2841 kcal/mol (6588744.8858 without restraints) Performing minimization step: 938. Total energy = 6564343.3072 kcal/mol (6561085.0434 without restraints) Performing minimization step: 939. Total energy = 6536811.0327 kcal/mol (6533569.7940 without restraints) Performing minimization step: 940. Total energy = 6509422.5389 kcal/mol (6506198.2172 without restraints) Performing minimization step: 941. Total energy = 6482176.9115 kcal/mol (6478969.3991 without restraints) Performing minimization step: 942. Total energy = 6455073.2424 kcal/mol (6451882.4326 without restraints) Performing minimization step: 943. Total energy = 6428110.6306 kcal/mol (6424936.4174 without restraints) Performing minimization step: 944. Total energy = 6401288.1813 kcal/mol (6398130.4595 without restraints) Performing minimization step: 945. Total energy = 6374605.0065 kcal/mol (6371463.6717 without restraints) Performing minimization step: 946. Total energy = 6348060.2250 kcal/mol (6344935.1735 without restraints) Performing minimization step: 947. Total energy = 6321652.9614 kcal/mol (6318544.0903 without restraints) Performing minimization step: 948. Total energy = 6295382.3472 kcal/mol (6292289.5543 without restraints) Performing minimization step: 949. Total energy = 6269247.5201 kcal/mol (6266170.7041 without restraints) Performing minimization step: 950. Total energy = 6243247.6244 kcal/mol (6240186.6846 without restraints) Performing minimization step: 951. Total energy = 6217381.8104 kcal/mol (6214336.6469 without restraints) Performing minimization step: 952. Total energy = 6191649.2346 kcal/mol (6188619.7482 without restraints) Performing minimization step: 953. Total energy = 6166049.0598 kcal/mol (6163035.1520 without restraints) Performing minimization step: 954. Total energy = 6140580.4549 kcal/mol (6137582.0280 without restraints) Performing minimization step: 955. Total energy = 6115242.5948 kcal/mol (6112259.5518 without restraints) Performing minimization step: 956. Total energy = 6090034.6606 kcal/mol (6087066.9051 without restraints) Performing minimization step: 957. Total energy = 6064955.8392 kcal/mol (6062003.2757 without restraints) Performing minimization step: 958. Total energy = 6040005.3235 kcal/mol (6037067.8570 without restraints) Performing minimization step: 959. Total energy = 6015182.3125 kcal/mol (6012259.8488 without restraints) Performing minimization step: 960. Total energy = 5990486.0106 kcal/mol (5987578.4562 without restraints) Performing minimization step: 961. Total energy = 5965915.6286 kcal/mol (5963022.8906 without restraints) Performing minimization step: 962. Total energy = 5941470.3825 kcal/mol (5938592.3687 without restraints) Performing minimization step: 963. Total energy = 5917149.4943 kcal/mol (5914286.1133 without restraints) Performing minimization step: 964. Total energy = 5892952.1917 kcal/mol (5890103.3527 without restraints) Performing minimization step: 965. Total energy = 5868877.7080 kcal/mol (5866043.3207 without restraints) Performing minimization step: 966. Total energy = 5844925.2822 kcal/mol (5842105.2571 without restraints) Performing minimization step: 967. Total energy = 5821094.1583 kcal/mol (5818288.4066 without restraints) Performing minimization step: 968. Total energy = 5797383.5865 kcal/mol (5794592.0200 without restraints) Performing minimization step: 969. Total energy = 5773792.8220 kcal/mol (5771015.3530 without restraints) Performing minimization step: 970. Total energy = 5750321.1254 kcal/mol (5747557.6671 without restraints) Performing minimization step: 971. Total energy = 5726967.7632 kcal/mol (5724218.2293 without restraints) Performing minimization step: 972. Total energy = 5703732.0068 kcal/mol (5700996.3116 without restraints) Performing minimization step: 973. Total energy = 5680613.1330 kcal/mol (5677891.1913 without restraints) Performing minimization step: 974. Total energy = 5657610.4235 kcal/mol (5654902.1512 without restraints) Performing minimization step: 975. Total energy = 5634723.1663 kcal/mol (5632028.4793 without restraints) Performing minimization step: 976. Total energy = 5611950.6534 kcal/mol (5609269.4685 without restraints) Performing minimization step: 977. Total energy = 5589292.1823 kcal/mol (5586624.4170 without restraints) Performing minimization step: 978. Total energy = 5566747.0559 kcal/mol (5564092.6281 without restraints) Performing minimization step: 979. Total energy = 5544314.5817 kcal/mol (5541673.4100 without restraints) Performing minimization step: 980. Total energy = 5521994.0725 kcal/mol (5519366.0762 without restraints) Performing minimization step: 981. Total energy = 5499784.8462 kcal/mol (5497169.9450 without restraints) Performing minimization step: 982. Total energy = 5477686.2252 kcal/mol (5475084.3393 without restraints) Performing minimization step: 983. Total energy = 5455697.5371 kcal/mol (5453108.5876 without restraints) Performing minimization step: 984. Total energy = 5433818.1142 kcal/mol (5431242.0224 without restraints) Performing minimization step: 985. Total energy = 5412047.2939 kcal/mol (5409483.9820 without restraints) Performing minimization step: 986. Total energy = 5390384.4185 kcal/mol (5387833.8092 without restraints) Performing minimization step: 987. Total energy = 5368828.8346 kcal/mol (5366290.8509 without restraints) Performing minimization step: 988. Total energy = 5347379.8938 kcal/mol (5344854.4595 without restraints) Performing minimization step: 989. Total energy = 5326036.9522 kcal/mol (5323523.9916 without restraints) Performing minimization step: 990. Total energy = 5304799.3706 kcal/mol (5302298.8085 without restraints) Performing minimization step: 991. Total energy = 5283666.5146 kcal/mol (5281178.2764 without restraints) Performing minimization step: 992. Total energy = 5262637.7542 kcal/mol (5260161.7658 without restraints) Performing minimization step: 993. Total energy = 5241712.4639 kcal/mol (5239248.6517 without restraints) Performing minimization step: 994. Total energy = 5220890.0228 kcal/mol (5218438.3138 without restraints) Performing minimization step: 995. Total energy = 5200169.8144 kcal/mol (5197730.1362 without restraints) Performing minimization step: 996. Total energy = 5179551.2268 kcal/mol (5177123.5073 without restraints) Performing minimization step: 997. Total energy = 5159033.6523 kcal/mol (5156617.8201 without restraints) Performing minimization step: 998. Total energy = 5138616.4874 kcal/mol (5136212.4716 without restraints) Performing minimization step: 999. Total energy = 5118299.1338 kcal/mol (5115906.8639 without restraints) Performing minimization step: 1000. Total energy = 5098080.9964 kcal/mol (5095700.4024 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1001. Total energy = 5077961.4849 kcal/mol (5075592.4975 without restraints) Performing minimization step: 1002. Total energy = 5057940.0135 kcal/mol (5055582.5637 without restraints) Performing minimization step: 1003. Total energy = 5038015.9997 kcal/mol (5035670.0190 without restraints) Performing minimization step: 1004. Total energy = 5018188.8659 kcal/mol (5015854.2864 without restraints) Performing minimization step: 1005. Total energy = 4998458.0385 kcal/mol (4996134.7926 without restraints) Performing minimization step: 1006. Total energy = 4978822.9480 kcal/mol (4976510.9689 without restraints) Performing minimization step: 1007. Total energy = 4959283.0290 kcal/mol (4956982.2502 without restraints) Performing minimization step: 1008. Total energy = 4939837.7200 kcal/mol (4937548.0754 without restraints) Performing minimization step: 1009. Total energy = 4920486.4636 kcal/mol (4918207.8877 without restraints) Performing minimization step: 1010. Total energy = 4901228.7063 kcal/mol (4898961.1339 without restraints) Performing minimization step: 1011. Total energy = 4882063.8988 kcal/mol (4879807.2654 without restraints) Performing minimization step: 1012. Total energy = 4862991.4951 kcal/mol (4860745.7364 without restraints) Performing minimization step: 1013. Total energy = 4844010.9541 kcal/mol (4841776.0065 without restraints) Performing minimization step: 1014. Total energy = 4825121.7371 kcal/mol (4822897.5372 without restraints) Performing minimization step: 1015. Total energy = 4806323.3103 kcal/mol (4804109.7954 without restraints) Performing minimization step: 1016. Total energy = 4787615.1437 kcal/mol (4785412.2513 without restraints) Performing minimization step: 1017. Total energy = 4768996.7105 kcal/mol (4766804.3789 without restraints) Performing minimization step: 1018. Total energy = 4750467.4881 kcal/mol (4748285.6557 without restraints) Performing minimization step: 1019. Total energy = 4732026.9574 kcal/mol (4729855.5631 without restraints) Performing minimization step: 1020. Total energy = 4713674.6030 kcal/mol (4711513.5862 without restraints) Performing minimization step: 1021. Total energy = 4695409.9131 kcal/mol (4693259.2136 without restraints) Performing minimization step: 1022. Total energy = 4677232.3795 kcal/mol (4675091.9377 without restraints) Performing minimization step: 1023. Total energy = 4659141.4977 kcal/mol (4657011.2540 without restraints) Performing minimization step: 1024. Total energy = 4641136.7668 kcal/mol (4639016.6623 without restraints) Performing minimization step: 1025. Total energy = 4623217.6888 kcal/mol (4621107.6651 without restraints) Performing minimization step: 1026. Total energy = 4605383.7700 kcal/mol (4603283.7690 without restraints) Performing minimization step: 1027. Total energy = 4587634.5199 kcal/mol (4585544.4838 without restraints) Performing minimization step: 1028. Total energy = 4569969.4514 kcal/mol (4567889.3230 without restraints) Performing minimization step: 1029. Total energy = 4552388.0808 kcal/mol (4550317.8031 without restraints) Performing minimization step: 1030. Total energy = 4534889.9277 kcal/mol (4532829.4443 without restraints) Performing minimization step: 1031. Total energy = 4517474.5153 kcal/mol (4515423.7701 without restraints) Performing minimization step: 1032. Total energy = 4500141.3700 kcal/mol (4498100.3073 without restraints) Performing minimization step: 1033. Total energy = 4482890.0215 kcal/mol (4480858.5860 without restraints) Performing minimization step: 1034. Total energy = 4465720.0028 kcal/mol (4463698.1395 without restraints) Performing minimization step: 1035. Total energy = 4448630.8501 kcal/mol (4446618.5045 without restraints) Performing minimization step: 1036. Total energy = 4431622.1028 kcal/mol (4429619.2207 without restraints) Performing minimization step: 1037. Total energy = 4414693.3037 kcal/mol (4412699.8313 without restraints) Performing minimization step: 1038. Total energy = 4397843.9986 kcal/mol (4395859.8825 without restraints) Performing minimization step: 1039. Total energy = 4381073.7367 kcal/mol (4379098.9238 without restraints) Performing minimization step: 1040. Total energy = 4364382.0696 kcal/mol (4362416.5073 without restraints) Performing minimization step: 1041. Total energy = 4347768.5529 kcal/mol (4345812.1889 without restraints) Performing minimization step: 1042. Total energy = 4331232.7448 kcal/mol (4329285.5272 without restraints) Performing minimization step: 1043. Total energy = 4314774.2064 kcal/mol (4312836.0834 without restraints) Performing minimization step: 1044. Total energy = 4298392.5024 kcal/mol (4296463.4229 without restraints) Performing minimization step: 1045. Total energy = 4282087.2001 kcal/mol (4280167.1132 without restraints) Performing minimization step: 1046. Total energy = 4265857.8698 kcal/mol (4263946.7249 without restraints) Performing minimization step: 1047. Total energy = 4249704.0848 kcal/mol (4247801.8317 without restraints) Performing minimization step: 1048. Total energy = 4233625.4212 kcal/mol (4231732.0101 without restraints) Performing minimization step: 1049. Total energy = 4217621.4583 kcal/mol (4215736.8397 without restraints) Performing minimization step: 1050. Total energy = 4201691.7780 kcal/mol (4199815.9027 without restraints) Performing minimization step: 1051. Total energy = 4185835.9652 kcal/mol (4183968.7843 without restraints) Performing minimization step: 1052. Total energy = 4170053.6075 kcal/mol (4168195.0727 without restraints) Performing minimization step: 1053. Total energy = 4154344.2955 kcal/mol (4152494.3585 without restraints) Performing minimization step: 1054. Total energy = 4138707.6226 kcal/mol (4136866.2355 without restraints) Performing minimization step: 1055. Total energy = 4123143.1846 kcal/mol (4121310.3000 without restraints) Performing minimization step: 1056. Total energy = 4107650.5805 kcal/mol (4105826.1511 without restraints) Performing minimization step: 1057. Total energy = 4092229.4118 kcal/mol (4090413.3908 without restraints) Performing minimization step: 1058. Total energy = 4076879.2827 kcal/mol (4075071.6235 without restraints) Performing minimization step: 1059. Total energy = 4061599.8003 kcal/mol (4059800.4567 without restraints) Performing minimization step: 1060. Total energy = 4046390.5737 kcal/mol (4044599.4998 without restraints) Performing minimization step: 1061. Total energy = 4031251.2154 kcal/mol (4029468.3656 without restraints) Performing minimization step: 1062. Total energy = 4016181.3407 kcal/mol (4014406.6695 without restraints) Performing minimization step: 1063. Total energy = 4001180.5659 kcal/mol (3999414.0285 without restraints) Performing minimization step: 1064. Total energy = 3986248.5119 kcal/mol (3984490.0634 without restraints) Performing minimization step: 1065. Total energy = 3971384.8005 kcal/mol (3969634.3967 without restraints) Performing minimization step: 1066. Total energy = 3956589.0573 kcal/mol (3954846.6540 without restraints) Performing minimization step: 1067. Total energy = 3941860.9096 kcal/mol (3940126.4630 without restraints) Performing minimization step: 1068. Total energy = 3927199.9876 kcal/mol (3925473.4541 without restraints) Performing minimization step: 1069. Total energy = 3912605.9237 kcal/mol (3910887.2602 without restraints) Performing minimization step: 1070. Total energy = 3898078.3530 kcal/mol (3896367.5165 without restraints) Performing minimization step: 1071. Total energy = 3883616.9128 kcal/mol (3881913.8606 without restraints) Performing minimization step: 1072. Total energy = 3869221.2429 kcal/mol (3867525.9327 without restraints) Performing minimization step: 1073. Total energy = 3854890.9858 kcal/mol (3853203.3755 without restraints) Performing minimization step: 1074. Total energy = 3840625.7856 kcal/mol (3838945.8334 without restraints) Performing minimization step: 1075. Total energy = 3826425.2895 kcal/mol (3824752.9538 without restraints) Performing minimization step: 1076. Total energy = 3812289.1467 kcal/mol (3810624.3863 without restraints) Performing minimization step: 1077. Total energy = 3798217.0089 kcal/mol (3796559.7828 without restraints) Performing minimization step: 1078. Total energy = 3784208.5298 kcal/mol (3782558.7972 without restraints) Performing minimization step: 1079. Total energy = 3770263.3656 kcal/mol (3768621.0861 without restraints) Performing minimization step: 1080. Total energy = 3756381.1747 kcal/mol (3754746.3080 without restraints) Performing minimization step: 1081. Total energy = 3742561.6177 kcal/mol (3740934.1241 without restraints) Performing minimization step: 1082. Total energy = 3728804.3576 kcal/mol (3727184.1973 without restraints) Performing minimization step: 1083. Total energy = 3715109.0594 kcal/mol (3713496.1931 without restraints) Performing minimization step: 1084. Total energy = 3701475.3905 kcal/mol (3699869.7789 without restraints) Performing minimization step: 1085. Total energy = 3687903.0199 kcal/mol (3686304.6243 without restraints) Performing minimization step: 1086. Total energy = 3674391.6198 kcal/mol (3672800.4014 without restraints) Performing minimization step: 1087. Total energy = 3660940.8637 kcal/mol (3659356.7841 without restraints) Performing minimization step: 1088. Total energy = 3647550.4274 kcal/mol (3645973.4486 without restraints) Performing minimization step: 1089. Total energy = 3634219.9890 kcal/mol (3632650.0731 without restraints) Performing minimization step: 1090. Total energy = 3620949.2283 kcal/mol (3619386.3375 without restraints) Performing minimization step: 1091. Total energy = 3607737.8275 kcal/mol (3606181.9245 without restraints) Performing minimization step: 1092. Total energy = 3594585.4707 kcal/mol (3593036.5183 without restraints) Performing minimization step: 1093. Total energy = 3581491.8442 kcal/mol (3579949.8056 without restraints) Performing minimization step: 1094. Total energy = 3568456.6361 kcal/mol (3566921.4746 without restraints) Performing minimization step: 1095. Total energy = 3555479.5369 kcal/mol (3553951.2159 without restraints) Performing minimization step: 1096. Total energy = 3542560.2384 kcal/mol (3541038.7218 without restraints) Performing minimization step: 1097. Total energy = 3529698.4352 kcal/mol (3528183.6870 without restraints) Performing minimization step: 1098. Total energy = 3516893.8234 kcal/mol (3515385.8079 without restraints) Performing minimization step: 1099. Total energy = 3504146.1008 kcal/mol (3502644.7825 without restraints) Performing minimization step: 1100. Total energy = 3491454.9676 kcal/mol (3489960.3111 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1101. Total energy = 3478820.1257 kcal/mol (3477332.0959 without restraints) Performing minimization step: 1102. Total energy = 3466241.2789 kcal/mol (3464759.8411 without restraints) Performing minimization step: 1103. Total energy = 3453718.1329 kcal/mol (3452243.2524 without restraints) Performing minimization step: 1104. Total energy = 3441250.3954 kcal/mol (3439782.0376 without restraints) Performing minimization step: 1105. Total energy = 3428837.7756 kcal/mol (3427375.9066 without restraints) Performing minimization step: 1106. Total energy = 3416479.9849 kcal/mol (3415024.5707 without restraints) Performing minimization step: 1107. Total energy = 3404176.7365 kcal/mol (3402727.7432 without restraints) Performing minimization step: 1108. Total energy = 3391927.7451 kcal/mol (3390485.1392 without restraints) Performing minimization step: 1109. Total energy = 3379732.7275 kcal/mol (3378296.4757 without restraints) Performing minimization step: 1110. Total energy = 3367591.4021 kcal/mol (3366161.4713 without restraints) Performing minimization step: 1111. Total energy = 3355503.4893 kcal/mol (3354079.8465 without restraints) Performing minimization step: 1112. Total energy = 3343468.7109 kcal/mol (3342051.3235 without restraints) Performing minimization step: 1113. Total energy = 3331486.7908 kcal/mol (3330075.6262 without restraints) Performing minimization step: 1114. Total energy = 3319557.4546 kcal/mol (3318152.4806 without restraints) Performing minimization step: 1115. Total energy = 3307680.4292 kcal/mol (3306281.6135 without restraints) Performing minimization step: 1116. Total energy = 3295855.4435 kcal/mol (3294462.7544 without restraints) Performing minimization step: 1117. Total energy = 3284082.2282 kcal/mol (3282695.6339 without restraints) Performing minimization step: 1118. Total energy = 3272360.5156 kcal/mol (3270979.9846 without restraints) Performing minimization step: 1119. Total energy = 3260690.0395 kcal/mol (3259315.5405 without restraints) Performing minimization step: 1120. Total energy = 3249070.5354 kcal/mol (3247702.0373 without restraints) Performing minimization step: 1121. Total energy = 3237501.7404 kcal/mol (3236139.2122 without restraints) Performing minimization step: 1122. Total energy = 3225983.3935 kcal/mol (3224626.8047 without restraints) Performing minimization step: 1123. Total energy = 3214515.2355 kcal/mol (3213164.5554 without restraints) Performing minimization step: 1124. Total energy = 3203097.0081 kcal/mol (3201752.2063 without restraints) Performing minimization step: 1125. Total energy = 3191728.4548 kcal/mol (3190389.5012 without restraints) Performing minimization step: 1126. Total energy = 3180409.3209 kcal/mol (3179076.1855 without restraints) Performing minimization step: 1127. Total energy = 3169139.3533 kcal/mol (3167812.0062 without restraints) Performing minimization step: 1128. Total energy = 3157918.3001 kcal/mol (3156596.7118 without restraints) Performing minimization step: 1129. Total energy = 3146745.9113 kcal/mol (3145430.0523 without restraints) Performing minimization step: 1130. Total energy = 3135621.9382 kcal/mol (3134311.7794 without restraints) Performing minimization step: 1131. Total energy = 3124546.1338 kcal/mol (3123241.6459 without restraints) Performing minimization step: 1132. Total energy = 3113518.2524 kcal/mol (3112219.4066 without restraints) Performing minimization step: 1133. Total energy = 3102538.0500 kcal/mol (3101244.8176 without restraints) Performing minimization step: 1134. Total energy = 3091605.2840 kcal/mol (3090317.6365 without restraints) Performing minimization step: 1135. Total energy = 3080719.7132 kcal/mol (3079437.6221 without restraints) Performing minimization step: 1136. Total energy = 3069881.0979 kcal/mol (3068604.5351 without restraints) Performing minimization step: 1137. Total energy = 3059089.2000 kcal/mol (3057818.1374 without restraints) Performing minimization step: 1138. Total energy = 3048343.7826 kcal/mol (3047078.1924 without restraints) Performing minimization step: 1139. Total energy = 3037644.6106 kcal/mol (3036384.4651 without restraints) Performing minimization step: 1140. Total energy = 3026991.4496 kcal/mol (3025736.7212 without restraints) Performing minimization step: 1141. Total energy = 3016384.0673 kcal/mol (3015134.7287 without restraints) Performing minimization step: 1142. Total energy = 3005822.2326 kcal/mol (3004578.2565 without restraints) Performing minimization step: 1143. Total energy = 2995305.7158 kcal/mol (2994067.0752 without restraints) Performing minimization step: 1144. Total energy = 2984834.2884 kcal/mol (2983600.9565 without restraints) Performing minimization step: 1145. Total energy = 2974407.7234 kcal/mol (2973179.6735 without restraints) Performing minimization step: 1146. Total energy = 2964025.7953 kcal/mol (2962803.0008 without restraints) Performing minimization step: 1147. Total energy = 2953688.2797 kcal/mol (2952470.7142 without restraints) Performing minimization step: 1148. Total energy = 2943394.9537 kcal/mol (2942182.5910 without restraints) Performing minimization step: 1149. Total energy = 2933145.5956 kcal/mol (2931938.4096 without restraints) Performing minimization step: 1150. Total energy = 2922939.9854 kcal/mol (2921737.9501 without restraints) Performing minimization step: 1151. Total energy = 2912777.9036 kcal/mol (2911580.9932 without restraints) Performing minimization step: 1152. Total energy = 2902659.1324 kcal/mol (2901467.3215 without restraints) Performing minimization step: 1153. Total energy = 2892583.4561 kcal/mol (2891396.7190 without restraints) Performing minimization step: 1154. Total energy = 2882550.6588 kcal/mol (2881368.9703 without restraints) Performing minimization step: 1155. Total energy = 2872560.5273 kcal/mol (2871383.8622 without restraints) Performing minimization step: 1156. Total energy = 2862612.8486 kcal/mol (2861441.1819 without restraints) Performing minimization step: 1157. Total energy = 2852707.4119 kcal/mol (2851540.7187 without restraints) Performing minimization step: 1158. Total energy = 2842844.0062 kcal/mol (2841682.2618 without restraints) Performing minimization step: 1159. Total energy = 2833022.4231 kcal/mol (2831865.6029 without restraints) Performing minimization step: 1160. Total energy = 2823242.4548 kcal/mol (2822090.5344 without restraints) Performing minimization step: 1161. Total energy = 2813503.8953 kcal/mol (2812356.8503 without restraints) Performing minimization step: 1162. Total energy = 2803806.5387 kcal/mol (2802664.3451 without restraints) Performing minimization step: 1163. Total energy = 2794150.1812 kcal/mol (2793012.8149 without restraints) Performing minimization step: 1164. Total energy = 2784534.6203 kcal/mol (2783402.0574 without restraints) Performing minimization step: 1165. Total energy = 2774959.6541 kcal/mol (2773831.8709 without restraints) Performing minimization step: 1166. Total energy = 2765425.0823 kcal/mol (2764302.0551 without restraints) Performing minimization step: 1167. Total energy = 2755930.7055 kcal/mol (2754812.4110 without restraints) Performing minimization step: 1168. Total energy = 2746476.3253 kcal/mol (2745362.7402 without restraints) Performing minimization step: 1169. Total energy = 2737061.7450 kcal/mol (2735952.8460 without restraints) Performing minimization step: 1170. Total energy = 2727686.7685 kcal/mol (2726582.5326 without restraints) Performing minimization step: 1171. Total energy = 2718351.2013 kcal/mol (2717251.6056 without restraints) Performing minimization step: 1172. Total energy = 2709054.8497 kcal/mol (2707959.8713 without restraints) Performing minimization step: 1173. Total energy = 2699797.5211 kcal/mol (2698707.1375 without restraints) Performing minimization step: 1174. Total energy = 2690579.0243 kcal/mol (2689493.2130 without restraints) Performing minimization step: 1175. Total energy = 2681399.1690 kcal/mol (2680317.9074 without restraints) Performing minimization step: 1176. Total energy = 2672257.7659 kcal/mol (2671181.0319 without restraints) Performing minimization step: 1177. Total energy = 2663154.6270 kcal/mol (2662082.3984 without restraints) Performing minimization step: 1178. Total energy = 2654089.5652 kcal/mol (2653021.8200 without restraints) Performing minimization step: 1179. Total energy = 2645062.3946 kcal/mol (2643999.1109 without restraints) Performing minimization step: 1180. Total energy = 2636072.9304 kcal/mol (2635014.0864 without restraints) Performing minimization step: 1181. Total energy = 2627120.9886 kcal/mol (2626066.5628 without restraints) Performing minimization step: 1182. Total energy = 2618206.3866 kcal/mol (2617156.3574 without restraints) Performing minimization step: 1183. Total energy = 2609328.9424 kcal/mol (2608283.2882 without restraints) Performing minimization step: 1184. Total energy = 2600488.4754 kcal/mol (2599447.1754 without restraints) Performing minimization step: 1185. Total energy = 2591684.8062 kcal/mol (2590647.8390 without restraints) Performing minimization step: 1186. Total energy = 2582917.7558 kcal/mol (2581885.1004 without restraints) Performing minimization step: 1187. Total energy = 2574187.1469 kcal/mol (2573158.7823 without restraints) Performing minimization step: 1188. Total energy = 2565492.8026 kcal/mol (2564468.7081 without restraints) Performing minimization step: 1189. Total energy = 2556834.5474 kcal/mol (2555814.7023 without restraints) Performing minimization step: 1190. Total energy = 2548212.2066 kcal/mol (2547196.5903 without restraints) Performing minimization step: 1191. Total energy = 2539625.6065 kcal/mol (2538614.1986 without restraints) Performing minimization step: 1192. Total energy = 2531074.5744 kcal/mol (2530067.3546 without restraints) Performing minimization step: 1193. Total energy = 2522558.9387 kcal/mol (2521555.8868 without restraints) Performing minimization step: 1194. Total energy = 2514078.5289 kcal/mol (2513079.6247 without restraints) Performing minimization step: 1195. Total energy = 2505633.1746 kcal/mol (2504638.3983 without restraints) Performing minimization step: 1196. Total energy = 2497222.7074 kcal/mol (2496232.0390 without restraints) Performing minimization step: 1197. Total energy = 2488846.9593 kcal/mol (2487860.3791 without restraints) Performing minimization step: 1198. Total energy = 2480505.7637 kcal/mol (2479523.2520 without restraints) Performing minimization step: 1199. Total energy = 2472198.9540 kcal/mol (2471220.4913 without restraints) Performing minimization step: 1200. Total energy = 2463926.3654 kcal/mol (2462951.9322 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1201. Total energy = 2455687.8338 kcal/mol (2454717.4109 without restraints) Performing minimization step: 1202. Total energy = 2447483.1959 kcal/mol (2446516.7639 without restraints) Performing minimization step: 1203. Total energy = 2439312.2894 kcal/mol (2438349.8293 without restraints) Performing minimization step: 1204. Total energy = 2431174.9527 kcal/mol (2430216.4456 without restraints) Performing minimization step: 1205. Total energy = 2423071.0255 kcal/mol (2422116.4524 without restraints) Performing minimization step: 1206. Total energy = 2415000.3483 kcal/mol (2414049.6903 without restraints) Performing minimization step: 1207. Total energy = 2406962.7618 kcal/mol (2406016.0004 without restraints) Performing minimization step: 1208. Total energy = 2398958.1086 kcal/mol (2398015.2252 without restraints) Performing minimization step: 1209. Total energy = 2390986.2314 kcal/mol (2390047.2074 without restraints) Performing minimization step: 1210. Total energy = 2383046.9744 kcal/mol (2382111.7915 without restraints) Performing minimization step: 1211. Total energy = 2375140.1816 kcal/mol (2374208.8215 without restraints) Performing minimization step: 1212. Total energy = 2367265.6994 kcal/mol (2366338.1439 without restraints) Performing minimization step: 1213. Total energy = 2359423.3737 kcal/mol (2358499.6048 without restraints) Performing minimization step: 1214. Total energy = 2351613.0521 kcal/mol (2350693.0518 without restraints) Performing minimization step: 1215. Total energy = 2343834.5826 kcal/mol (2342918.3329 without restraints) Performing minimization step: 1216. Total energy = 2336087.8140 kcal/mol (2335175.2973 without restraints) Performing minimization step: 1217. Total energy = 2328372.5965 kcal/mol (2327463.7950 without restraints) Performing minimization step: 1218. Total energy = 2320688.7802 kcal/mol (2319783.6763 without restraints) Performing minimization step: 1219. Total energy = 2313036.2166 kcal/mol (2312134.7929 without restraints) Performing minimization step: 1220. Total energy = 2305414.7581 kcal/mol (2304516.9971 without restraints) Performing minimization step: 1221. Total energy = 2297824.2576 kcal/mol (2296930.1421 without restraints) Performing minimization step: 1222. Total energy = 2290264.5690 kcal/mol (2289374.0817 without restraints) Performing minimization step: 1223. Total energy = 2282735.5471 kcal/mol (2281848.6709 without restraints) Performing minimization step: 1224. Total energy = 2275237.0471 kcal/mol (2274353.7651 without restraints) Performing minimization step: 1225. Total energy = 2267768.9250 kcal/mol (2266889.2202 without restraints) Performing minimization step: 1226. Total energy = 2260331.0382 kcal/mol (2259454.8937 without restraints) Performing minimization step: 1227. Total energy = 2252923.2439 kcal/mol (2252050.6431 without restraints) Performing minimization step: 1228. Total energy = 2245545.4014 kcal/mol (2244676.3275 without restraints) Performing minimization step: 1229. Total energy = 2238197.3694 kcal/mol (2237331.8060 without restraints) Performing minimization step: 1230. Total energy = 2230879.0083 kcal/mol (2230016.9388 without restraints) Performing minimization step: 1231. Total energy = 2223590.1789 kcal/mol (2222731.5869 without restraints) Performing minimization step: 1232. Total energy = 2216330.7425 kcal/mol (2215475.6117 without restraints) Performing minimization step: 1233. Total energy = 2209100.5615 kcal/mol (2208248.8758 without restraints) Performing minimization step: 1234. Total energy = 2201899.4990 kcal/mol (2201051.2423 without restraints) Performing minimization step: 1235. Total energy = 2194727.4189 kcal/mol (2193882.5750 without restraints) Performing minimization step: 1236. Total energy = 2187584.1855 kcal/mol (2186742.7386 without restraints) Performing minimization step: 1237. Total energy = 2180469.6642 kcal/mol (2179631.5983 without restraints) Performing minimization step: 1238. Total energy = 2173383.7209 kcal/mol (2172549.0204 without restraints) Performing minimization step: 1239. Total energy = 2166326.2226 kcal/mol (2165494.8716 without restraints) Performing minimization step: 1240. Total energy = 2159297.0362 kcal/mol (2158469.0192 without restraints) Performing minimization step: 1241. Total energy = 2152296.0300 kcal/mol (2151471.3315 without restraints) Performing minimization step: 1242. Total energy = 2145323.0729 kcal/mol (2144501.6774 without restraints) Performing minimization step: 1243. Total energy = 2138378.0343 kcal/mol (2137559.9265 without restraints) Performing minimization step: 1244. Total energy = 2131460.7846 kcal/mol (2130645.9491 without restraints) Performing minimization step: 1245. Total energy = 2124571.1944 kcal/mol (2123759.6162 without restraints) Performing minimization step: 1246. Total energy = 2117709.1356 kcal/mol (2116900.7994 without restraints) Performing minimization step: 1247. Total energy = 2110874.4803 kcal/mol (2110069.3711 without restraints) Performing minimization step: 1248. Total energy = 2104067.1015 kcal/mol (2103265.2044 without restraints) Performing minimization step: 1249. Total energy = 2097286.8727 kcal/mol (2096488.1729 without restraints) Performing minimization step: 1250. Total energy = 2090533.6683 kcal/mol (2089738.1509 without restraints) Performing minimization step: 1251. Total energy = 2083807.3635 kcal/mol (2083015.0137 without restraints) Performing minimization step: 1252. Total energy = 2077107.8336 kcal/mol (2076318.6369 without restraints) Performing minimization step: 1253. Total energy = 2070434.9550 kcal/mol (2069648.8968 without restraints) Performing minimization step: 1254. Total energy = 2063788.6047 kcal/mol (2063005.6705 without restraints) Performing minimization step: 1255. Total energy = 2057168.6602 kcal/mol (2056388.8355 without restraints) Performing minimization step: 1256. Total energy = 2050574.9997 kcal/mol (2049798.2702 without restraints) Performing minimization step: 1257. Total energy = 2044007.5020 kcal/mol (2043233.8536 without restraints) Performing minimization step: 1258. Total energy = 2037466.0468 kcal/mol (2036695.4652 without restraints) Performing minimization step: 1259. Total energy = 2030950.5141 kcal/mol (2030182.9852 without restraints) Performing minimization step: 1260. Total energy = 2024460.7848 kcal/mol (2023696.2945 without restraints) Performing minimization step: 1261. Total energy = 2017996.7402 kcal/mol (2017235.2746 without restraints) Performing minimization step: 1262. Total energy = 2011558.2623 kcal/mol (2010799.8075 without restraints) Performing minimization step: 1263. Total energy = 2005145.2338 kcal/mol (2004389.7760 without restraints) Performing minimization step: 1264. Total energy = 1998757.5377 kcal/mol (1998005.0631 without restraints) Performing minimization step: 1265. Total energy = 1992395.0582 kcal/mol (1991645.5533 without restraints) Performing minimization step: 1266. Total energy = 1986057.6796 kcal/mol (1985311.1306 without restraints) Performing minimization step: 1267. Total energy = 1979745.2873 kcal/mol (1979001.6807 without restraints) Performing minimization step: 1268. Total energy = 1973457.7664 kcal/mol (1972717.0888 without restraints) Performing minimization step: 1269. Total energy = 1967195.0036 kcal/mol (1966457.2416 without restraints) Performing minimization step: 1270. Total energy = 1960956.8855 kcal/mol (1960222.0258 without restraints) Performing minimization step: 1271. Total energy = 1954743.2996 kcal/mol (1954011.3288 without restraints) Performing minimization step: 1272. Total energy = 1948554.1337 kcal/mol (1947825.0388 without restraints) Performing minimization step: 1273. Total energy = 1942389.2770 kcal/mol (1941663.0448 without restraints) Performing minimization step: 1274. Total energy = 1936248.6184 kcal/mol (1935525.2359 without restraints) Performing minimization step: 1275. Total energy = 1930132.0477 kcal/mol (1929411.5019 without restraints) Performing minimization step: 1276. Total energy = 1924039.4548 kcal/mol (1923321.7328 without restraints) Performing minimization step: 1277. Total energy = 1917970.7313 kcal/mol (1917255.8203 without restraints) Performing minimization step: 1278. Total energy = 1911925.7684 kcal/mol (1911213.6555 without restraints) Performing minimization step: 1279. Total energy = 1905904.4580 kcal/mol (1905195.1305 without restraints) Performing minimization step: 1280. Total energy = 1899906.6925 kcal/mol (1899200.1379 without restraints) Performing minimization step: 1281. Total energy = 1893932.3656 kcal/mol (1893228.5712 without restraints) Performing minimization step: 1282. Total energy = 1887981.3705 kcal/mol (1887280.3237 without restraints) Performing minimization step: 1283. Total energy = 1882053.6014 kcal/mol (1881355.2900 without restraints) Performing minimization step: 1284. Total energy = 1876148.9536 kcal/mol (1875453.3650 without restraints) Performing minimization step: 1285. Total energy = 1870267.3221 kcal/mol (1869574.4441 without restraints) Performing minimization step: 1286. Total energy = 1864408.6028 kcal/mol (1863718.4231 without restraints) Performing minimization step: 1287. Total energy = 1858572.6921 kcal/mol (1857885.1985 without restraints) Performing minimization step: 1288. Total energy = 1852759.4868 kcal/mol (1852074.6672 without restraints) Performing minimization step: 1289. Total energy = 1846968.8845 kcal/mol (1846286.7267 without restraints) Performing minimization step: 1290. Total energy = 1841200.7831 kcal/mol (1840521.2752 without restraints) Performing minimization step: 1291. Total energy = 1835455.0811 kcal/mol (1834778.2111 without restraints) Performing minimization step: 1292. Total energy = 1829731.6775 kcal/mol (1829057.4335 without restraints) Performing minimization step: 1293. Total energy = 1824030.4719 kcal/mol (1823358.8421 without restraints) Performing minimization step: 1294. Total energy = 1818351.3643 kcal/mol (1817682.3370 without restraints) Performing minimization step: 1295. Total energy = 1812694.2554 kcal/mol (1812027.8188 without restraints) Performing minimization step: 1296. Total energy = 1807059.0461 kcal/mol (1806395.1887 without restraints) Performing minimization step: 1297. Total energy = 1801445.6379 kcal/mol (1800784.3479 without restraints) Performing minimization step: 1298. Total energy = 1795853.9329 kcal/mol (1795195.1988 without restraints) Performing minimization step: 1299. Total energy = 1790283.8337 kcal/mol (1789627.6441 without restraints) Performing minimization step: 1300. Total energy = 1784735.2434 kcal/mol (1784081.5869 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1301. Total energy = 1779208.0652 kcal/mol (1778556.9305 without restraints) Performing minimization step: 1302. Total energy = 1773702.2038 kcal/mol (1773053.5794 without restraints) Performing minimization step: 1303. Total energy = 1768217.5633 kcal/mol (1767571.4381 without restraints) Performing minimization step: 1304. Total energy = 1762754.0490 kcal/mol (1762110.4118 without restraints) Performing minimization step: 1305. Total energy = 1757311.5659 kcal/mol (1756670.4056 without restraints) Performing minimization step: 1306. Total energy = 1751890.0204 kcal/mol (1751251.3259 without restraints) Performing minimization step: 1307. Total energy = 1746489.3187 kcal/mol (1745853.0790 without restraints) Performing minimization step: 1308. Total energy = 1741109.3676 kcal/mol (1740475.5717 without restraints) Performing minimization step: 1309. Total energy = 1735750.0749 kcal/mol (1735118.7119 without restraints) Performing minimization step: 1310. Total energy = 1730411.3482 kcal/mol (1729782.4073 without restraints) Performing minimization step: 1311. Total energy = 1725093.0959 kcal/mol (1724466.5662 without restraints) Performing minimization step: 1312. Total energy = 1719795.2266 kcal/mol (1719171.0975 without restraints) Performing minimization step: 1313. Total energy = 1714517.6497 kcal/mol (1713895.9104 without restraints) Performing minimization step: 1314. Total energy = 1709260.2748 kcal/mol (1708640.9148 without restraints) Performing minimization step: 1315. Total energy = 1704023.0121 kcal/mol (1703406.0207 without restraints) Performing minimization step: 1316. Total energy = 1698805.7722 kcal/mol (1698191.1389 without restraints) Performing minimization step: 1317. Total energy = 1693608.4661 kcal/mol (1692996.1804 without restraints) Performing minimization step: 1318. Total energy = 1688431.0052 kcal/mol (1687821.0567 without restraints) Performing minimization step: 1319. Total energy = 1683273.3015 kcal/mol (1682665.6799 without restraints) Performing minimization step: 1320. Total energy = 1678135.2675 kcal/mol (1677529.9624 without restraints) Performing minimization step: 1321. Total energy = 1673016.8158 kcal/mol (1672413.8169 without restraints) Performing minimization step: 1322. Total energy = 1667917.8597 kcal/mol (1667317.1569 without restraints) Performing minimization step: 1323. Total energy = 1662838.3132 kcal/mol (1662239.8963 without restraints) Performing minimization step: 1324. Total energy = 1657778.0898 kcal/mol (1657181.9486 without restraints) Performing minimization step: 1325. Total energy = 1652737.1044 kcal/mol (1652143.2289 without restraints) Performing minimization step: 1326. Total energy = 1647715.2718 kcal/mol (1647123.6520 without restraints) Performing minimization step: 1327. Total energy = 1642712.5076 kcal/mol (1642123.1336 without restraints) Performing minimization step: 1328. Total energy = 1637728.7276 kcal/mol (1637141.5894 without restraints) Performing minimization step: 1329. Total energy = 1632763.8476 kcal/mol (1632178.9353 without restraints) Performing minimization step: 1330. Total energy = 1627817.7845 kcal/mol (1627235.0884 without restraints) Performing minimization step: 1331. Total energy = 1622890.4553 kcal/mol (1622309.9655 without restraints) Performing minimization step: 1332. Total energy = 1617981.7776 kcal/mol (1617403.4844 without restraints) Performing minimization step: 1333. Total energy = 1613091.6690 kcal/mol (1612515.5628 without restraints) Performing minimization step: 1334. Total energy = 1608220.0478 kcal/mol (1607646.1190 without restraints) Performing minimization step: 1335. Total energy = 1603366.8330 kcal/mol (1602795.0719 without restraints) Performing minimization step: 1336. Total energy = 1598531.9434 kcal/mol (1597962.3406 without restraints) Performing minimization step: 1337. Total energy = 1593715.2985 kcal/mol (1593147.8444 without restraints) Performing minimization step: 1338. Total energy = 1588916.8182 kcal/mol (1588351.5034 without restraints) Performing minimization step: 1339. Total energy = 1584136.4225 kcal/mol (1583573.2377 without restraints) Performing minimization step: 1340. Total energy = 1579374.0324 kcal/mol (1578812.9682 without restraints) Performing minimization step: 1341. Total energy = 1574629.5687 kcal/mol (1574070.6158 without restraints) Performing minimization step: 1342. Total energy = 1569902.9531 kcal/mol (1569346.1022 without restraints) Performing minimization step: 1343. Total energy = 1565194.1073 kcal/mol (1564639.3492 without restraints) Performing minimization step: 1344. Total energy = 1560502.9534 kcal/mol (1559950.2790 without restraints) Performing minimization step: 1345. Total energy = 1555829.4140 kcal/mol (1555278.8141 without restraints) Performing minimization step: 1346. Total energy = 1551173.4122 kcal/mol (1550624.8779 without restraints) Performing minimization step: 1347. Total energy = 1546534.8710 kcal/mol (1545988.3931 without restraints) Performing minimization step: 1348. Total energy = 1541913.7143 kcal/mol (1541369.2839 without restraints) Performing minimization step: 1349. Total energy = 1537309.8661 kcal/mol (1536767.4742 without restraints) Performing minimization step: 1350. Total energy = 1532723.2508 kcal/mol (1532182.8884 without restraints) Performing minimization step: 1351. Total energy = 1528153.7937 kcal/mol (1527615.4522 without restraints) Performing minimization step: 1352. Total energy = 1523601.4192 kcal/mol (1523065.0896 without restraints) Performing minimization step: 1353. Total energy = 1519066.0532 kcal/mol (1518531.7268 without restraints) Performing minimization step: 1354. Total energy = 1514547.6216 kcal/mol (1514015.2897 without restraints) Performing minimization step: 1355. Total energy = 1510046.0506 kcal/mol (1509515.7045 without restraints) Performing minimization step: 1356. Total energy = 1505561.2669 kcal/mol (1505032.8979 without restraints) Performing minimization step: 1357. Total energy = 1501093.1976 kcal/mol (1500566.7972 without restraints) Performing minimization step: 1358. Total energy = 1496641.7696 kcal/mol (1496117.3292 without restraints) Performing minimization step: 1359. Total energy = 1492206.9111 kcal/mol (1491684.4222 without restraints) Performing minimization step: 1360. Total energy = 1487788.5497 kcal/mol (1487268.0039 without restraints) Performing minimization step: 1361. Total energy = 1483386.6140 kcal/mol (1482868.0026 without restraints) Performing minimization step: 1362. Total energy = 1479001.0325 kcal/mol (1478484.3474 without restraints) Performing minimization step: 1363. Total energy = 1474631.7348 kcal/mol (1474116.9675 without restraints) Performing minimization step: 1364. Total energy = 1470278.6497 kcal/mol (1469765.7919 without restraints) Performing minimization step: 1365. Total energy = 1465941.7073 kcal/mol (1465430.7508 without restraints) Performing minimization step: 1366. Total energy = 1461620.8378 kcal/mol (1461111.7743 without restraints) Performing minimization step: 1367. Total energy = 1457315.9715 kcal/mol (1456808.7928 without restraints) Performing minimization step: 1368. Total energy = 1453027.0393 kcal/mol (1452521.7373 without restraints) Performing minimization step: 1369. Total energy = 1448753.9722 kcal/mol (1448250.5388 without restraints) Performing minimization step: 1370. Total energy = 1444496.7020 kcal/mol (1443995.1292 without restraints) Performing minimization step: 1371. Total energy = 1440255.1605 kcal/mol (1439755.4401 without restraints) Performing minimization step: 1372. Total energy = 1436029.2798 kcal/mol (1435531.4040 without restraints) Performing minimization step: 1373. Total energy = 1431818.9924 kcal/mol (1431322.9532 without restraints) Performing minimization step: 1374. Total energy = 1427624.2311 kcal/mol (1427130.0205 without restraints) Performing minimization step: 1375. Total energy = 1423444.9294 kcal/mol (1422952.5396 without restraints) Performing minimization step: 1376. Total energy = 1419281.0208 kcal/mol (1418790.4440 without restraints) Performing minimization step: 1377. Total energy = 1415132.4392 kcal/mol (1414643.6676 without restraints) Performing minimization step: 1378. Total energy = 1410999.1185 kcal/mol (1410512.1443 without restraints) Performing minimization step: 1379. Total energy = 1406880.9935 kcal/mol (1406395.8091 without restraints) Performing minimization step: 1380. Total energy = 1402777.9991 kcal/mol (1402294.5969 without restraints) Performing minimization step: 1381. Total energy = 1398690.0706 kcal/mol (1398208.4428 without restraints) Performing minimization step: 1382. Total energy = 1394617.1434 kcal/mol (1394137.2825 without restraints) Performing minimization step: 1383. Total energy = 1390559.1534 kcal/mol (1390081.0518 without restraints) Performing minimization step: 1384. Total energy = 1386516.0369 kcal/mol (1386039.6871 without restraints) Performing minimization step: 1385. Total energy = 1382487.7305 kcal/mol (1382013.1251 without restraints) Performing minimization step: 1386. Total energy = 1378474.1707 kcal/mol (1378001.3022 without restraints) Performing minimization step: 1387. Total energy = 1374475.2948 kcal/mol (1374004.1557 without restraints) Performing minimization step: 1388. Total energy = 1370491.0401 kcal/mol (1370021.6232 without restraints) Performing minimization step: 1389. Total energy = 1366521.3445 kcal/mol (1366053.6424 without restraints) Performing minimization step: 1390. Total energy = 1362566.1460 kcal/mol (1362100.1514 without restraints) Performing minimization step: 1391. Total energy = 1358625.3829 kcal/mol (1358161.0886 without restraints) Performing minimization step: 1392. Total energy = 1354698.9938 kcal/mol (1354236.3925 without restraints) Performing minimization step: 1393. Total energy = 1350786.9177 kcal/mol (1350326.0022 without restraints) Performing minimization step: 1394. Total energy = 1346889.0936 kcal/mol (1346429.8567 without restraints) Performing minimization step: 1395. Total energy = 1343005.4611 kcal/mol (1342547.8958 without restraints) Performing minimization step: 1396. Total energy = 1339135.9599 kcal/mol (1338680.0589 without restraints) Performing minimization step: 1397. Total energy = 1335280.5301 kcal/mol (1334826.2865 without restraints) Performing minimization step: 1398. Total energy = 1331439.1117 kcal/mol (1330986.5184 without restraints) Performing minimization step: 1399. Total energy = 1327611.6454 kcal/mol (1327160.6954 without restraints) Performing minimization step: 1400. Total energy = 1323798.0720 kcal/mol (1323348.7584 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1401. Total energy = 1319998.3326 kcal/mol (1319550.6485 without restraints) Performing minimization step: 1402. Total energy = 1316212.3686 kcal/mol (1315766.3069 without restraints) Performing minimization step: 1403. Total energy = 1312440.1215 kcal/mol (1311995.6755 without restraints) Performing minimization step: 1404. Total energy = 1308681.5334 kcal/mol (1308238.6962 without restraints) Performing minimization step: 1405. Total energy = 1304936.5463 kcal/mol (1304495.3110 without restraints) Performing minimization step: 1406. Total energy = 1301205.1026 kcal/mol (1300765.4626 without restraints) Performing minimization step: 1407. Total energy = 1297487.1451 kcal/mol (1297049.0935 without restraints) Performing minimization step: 1408. Total energy = 1293782.6169 kcal/mol (1293346.1471 without restraints) Performing minimization step: 1409. Total energy = 1290091.4609 kcal/mol (1289656.5661 without restraints) Performing minimization step: 1410. Total energy = 1286413.6207 kcal/mol (1285980.2943 without restraints) Performing minimization step: 1411. Total energy = 1282749.0401 kcal/mol (1282317.2755 without restraints) Performing minimization step: 1412. Total energy = 1279097.6634 kcal/mol (1278667.4539 without restraints) Performing minimization step: 1413. Total energy = 1275459.4342 kcal/mol (1275030.7733 without restraints) Performing minimization step: 1414. Total energy = 1271834.2976 kcal/mol (1271407.1789 without restraints) Performing minimization step: 1415. Total energy = 1268222.1987 kcal/mol (1267796.6156 without restraints) Performing minimization step: 1416. Total energy = 1264623.0820 kcal/mol (1264199.0280 without restraints) Performing minimization step: 1417. Total energy = 1261036.8929 kcal/mol (1260614.3615 without restraints) Performing minimization step: 1418. Total energy = 1257463.5772 kcal/mol (1257042.5623 without restraints) Performing minimization step: 1419. Total energy = 1253903.0810 kcal/mol (1253483.5759 without restraints) Performing minimization step: 1420. Total energy = 1250355.3501 kcal/mol (1249937.3487 without restraints) Performing minimization step: 1421. Total energy = 1246820.3311 kcal/mol (1246403.8269 without restraints) Performing minimization step: 1422. Total energy = 1243297.9706 kcal/mol (1242882.9574 without restraints) Performing minimization step: 1423. Total energy = 1239788.2154 kcal/mol (1239374.6870 without restraints) Performing minimization step: 1424. Total energy = 1236291.0129 kcal/mol (1235878.9629 without restraints) Performing minimization step: 1425. Total energy = 1232806.3103 kcal/mol (1232395.7327 without restraints) Performing minimization step: 1426. Total energy = 1229334.0556 kcal/mol (1228924.9442 without restraints) Performing minimization step: 1427. Total energy = 1225874.1961 kcal/mol (1225466.5447 without restraints) Performing minimization step: 1428. Total energy = 1222426.6805 kcal/mol (1222020.4831 without restraints) Performing minimization step: 1429. Total energy = 1218991.4574 kcal/mol (1218586.7078 without restraints) Performing minimization step: 1430. Total energy = 1215568.4750 kcal/mol (1215165.1672 without restraints) Performing minimization step: 1431. Total energy = 1212157.6822 kcal/mol (1211755.8103 without restraints) Performing minimization step: 1432. Total energy = 1208759.0284 kcal/mol (1208358.5863 without restraints) Performing minimization step: 1433. Total energy = 1205372.4629 kcal/mol (1204973.4446 without restraints) Performing minimization step: 1434. Total energy = 1201997.9354 kcal/mol (1201600.3350 without restraints) Performing minimization step: 1435. Total energy = 1198635.3958 kcal/mol (1198239.2075 without restraints) Performing minimization step: 1436. Total energy = 1195284.7941 kcal/mol (1194890.0118 without restraints) Performing minimization step: 1437. Total energy = 1191946.0810 kcal/mol (1191552.6990 without restraints) Performing minimization step: 1438. Total energy = 1188619.2062 kcal/mol (1188227.2188 without restraints) Performing minimization step: 1439. Total energy = 1185304.1212 kcal/mol (1184913.5224 without restraints) Performing minimization step: 1440. Total energy = 1182000.7768 kcal/mol (1181611.5610 without restraints) Performing minimization step: 1441. Total energy = 1178709.1246 kcal/mol (1178321.2859 without restraints) Performing minimization step: 1442. Total energy = 1175429.1156 kcal/mol (1175042.6484 without restraints) Performing minimization step: 1443. Total energy = 1172160.7018 kcal/mol (1171775.6004 without restraints) Performing minimization step: 1444. Total energy = 1168903.8353 kcal/mol (1168520.0941 without restraints) Performing minimization step: 1445. Total energy = 1165658.4681 kcal/mol (1165276.0813 without restraints) Performing minimization step: 1446. Total energy = 1162424.5522 kcal/mol (1162043.5143 without restraints) Performing minimization step: 1447. Total energy = 1159202.0411 kcal/mol (1158822.3466 without restraints) Performing minimization step: 1448. Total energy = 1155990.8870 kcal/mol (1155612.5302 without restraints) Performing minimization step: 1449. Total energy = 1152791.0432 kcal/mol (1152414.0186 without restraints) Performing minimization step: 1450. Total energy = 1149602.4628 kcal/mol (1149226.7649 without restraints) Performing minimization step: 1451. Total energy = 1146425.0995 kcal/mol (1146050.7229 without restraints) Performing minimization step: 1452. Total energy = 1143258.9069 kcal/mol (1142885.8461 without restraints) Performing minimization step: 1453. Total energy = 1140103.8390 kcal/mol (1139732.0886 without restraints) Performing minimization step: 1454. Total energy = 1136959.8499 kcal/mol (1136589.4045 without restraints) Performing minimization step: 1455. Total energy = 1133826.8940 kcal/mol (1133457.7482 without restraints) Performing minimization step: 1456. Total energy = 1130704.9259 kcal/mol (1130337.0743 without restraints) Performing minimization step: 1457. Total energy = 1127593.9002 kcal/mol (1127227.3375 without restraints) Performing minimization step: 1458. Total energy = 1124493.7721 kcal/mol (1124128.4930 without restraints) Performing minimization step: 1459. Total energy = 1121404.4967 kcal/mol (1121040.4960 without restraints) Performing minimization step: 1460. Total energy = 1118326.0295 kcal/mol (1117963.3020 without restraints) Performing minimization step: 1461. Total energy = 1115258.3260 kcal/mol (1114896.8663 without restraints) Performing minimization step: 1462. Total energy = 1112201.3420 kcal/mol (1111841.1450 without restraints) Performing minimization step: 1463. Total energy = 1109155.0335 kcal/mol (1108796.0940 without restraints) Performing minimization step: 1464. Total energy = 1106119.3569 kcal/mol (1105761.6697 without restraints) Performing minimization step: 1465. Total energy = 1103094.2685 kcal/mol (1102737.8285 without restraints) Performing minimization step: 1466. Total energy = 1100079.7249 kcal/mol (1099724.5270 without restraints) Performing minimization step: 1467. Total energy = 1097075.6830 kcal/mol (1096721.7222 without restraints) Performing minimization step: 1468. Total energy = 1094082.0999 kcal/mol (1093729.3710 without restraints) Performing minimization step: 1469. Total energy = 1091098.9327 kcal/mol (1090747.4307 without restraints) Performing minimization step: 1470. Total energy = 1088126.1388 kcal/mol (1087775.8587 without restraints) Performing minimization step: 1471. Total energy = 1085163.6760 kcal/mol (1084814.6128 without restraints) Performing minimization step: 1472. Total energy = 1082211.5019 kcal/mol (1081863.6507 without restraints) Performing minimization step: 1473. Total energy = 1079269.5747 kcal/mol (1078922.9305 without restraints) Performing minimization step: 1474. Total energy = 1076337.8527 kcal/mol (1075992.4106 without restraints) Performing minimization step: 1475. Total energy = 1073416.2940 kcal/mol (1073072.0490 without restraints) Performing minimization step: 1476. Total energy = 1070504.8572 kcal/mol (1070161.8045 without restraints) Performing minimization step: 1477. Total energy = 1067603.5012 kcal/mol (1067261.6360 without restraints) Performing minimization step: 1478. Total energy = 1064712.1852 kcal/mol (1064371.5026 without restraints) Performing minimization step: 1479. Total energy = 1061830.8678 kcal/mol (1061491.3630 without restraints) Performing minimization step: 1480. Total energy = 1058959.5088 kcal/mol (1058621.1770 without restraints) Performing minimization step: 1481. Total energy = 1056098.0675 kcal/mol (1055760.9040 without restraints) Performing minimization step: 1482. Total energy = 1053246.5040 kcal/mol (1052910.5040 without restraints) Performing minimization step: 1483. Total energy = 1050404.7776 kcal/mol (1050069.9364 without restraints) Performing minimization step: 1484. Total energy = 1047572.8487 kcal/mol (1047239.1616 without restraints) Performing minimization step: 1485. Total energy = 1044750.6776 kcal/mol (1044418.1398 without restraints) Performing minimization step: 1486. Total energy = 1041938.2246 kcal/mol (1041606.8316 without restraints) Performing minimization step: 1487. Total energy = 1039135.4505 kcal/mol (1038805.1976 without restraints) Performing minimization step: 1488. Total energy = 1036342.3161 kcal/mol (1036013.1987 without restraints) Performing minimization step: 1489. Total energy = 1033558.7823 kcal/mol (1033230.7958 without restraints) Performing minimization step: 1490. Total energy = 1030784.8102 kcal/mol (1030457.9501 without restraints) Performing minimization step: 1491. Total energy = 1028020.3614 kcal/mol (1027694.6230 without restraints) Performing minimization step: 1492. Total energy = 1025265.3972 kcal/mol (1024940.7761 without restraints) Performing minimization step: 1493. Total energy = 1022519.8795 kcal/mol (1022196.3711 without restraints) Performing minimization step: 1494. Total energy = 1019783.7701 kcal/mol (1019461.3700 without restraints) Performing minimization step: 1495. Total energy = 1017057.0308 kcal/mol (1016735.7345 without restraints) Performing minimization step: 1496. Total energy = 1014339.6238 kcal/mol (1014019.4268 without restraints) Performing minimization step: 1497. Total energy = 1011631.5119 kcal/mol (1011312.4099 without restraints) Performing minimization step: 1498. Total energy = 1008932.6576 kcal/mol (1008614.6460 without restraints) Performing minimization step: 1499. Total energy = 1006243.0234 kcal/mol (1005926.0979 without restraints) Performing minimization step: 1500. Total energy = 1003562.5723 kcal/mol (1003246.7285 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1501. Total energy = 1000891.2676 kcal/mol (1000576.5012 without restraints) Performing minimization step: 1502. Total energy = 998229.0722 kcal/mol (997915.3788 without restraints) Performing minimization step: 1503. Total energy = 995575.9495 kcal/mol (995263.3250 without restraints) Performing minimization step: 1504. Total energy = 992931.8632 kcal/mol (992620.3030 without restraints) Performing minimization step: 1505. Total energy = 990296.7773 kcal/mol (989986.2774 without restraints) Performing minimization step: 1506. Total energy = 987670.6555 kcal/mol (987361.2115 without restraints) Performing minimization step: 1507. Total energy = 985053.4616 kcal/mol (984745.0694 without restraints) Performing minimization step: 1508. Total energy = 982445.1601 kcal/mol (982137.8154 without restraints) Performing minimization step: 1509. Total energy = 979845.7154 kcal/mol (979539.4139 without restraints) Performing minimization step: 1510. Total energy = 977255.0918 kcal/mol (976949.8294 without restraints) Performing minimization step: 1511. Total energy = 974673.2543 kcal/mol (974369.0269 without restraints) Performing minimization step: 1512. Total energy = 972100.1678 kcal/mol (971796.9712 without restraints) Performing minimization step: 1513. Total energy = 969535.7972 kcal/mol (969233.6274 without restraints) Performing minimization step: 1514. Total energy = 966980.1077 kcal/mol (966678.9605 without restraints) Performing minimization step: 1515. Total energy = 964433.0646 kcal/mol (964132.9359 without restraints) Performing minimization step: 1516. Total energy = 961894.6336 kcal/mol (961595.5194 without restraints) Performing minimization step: 1517. Total energy = 959364.7803 kcal/mol (959066.6765 without restraints) Performing minimization step: 1518. Total energy = 956843.4708 kcal/mol (956546.3735 without restraints) Performing minimization step: 1519. Total energy = 954330.6704 kcal/mol (954034.5755 without restraints) Performing minimization step: 1520. Total energy = 951826.3454 kcal/mol (951531.2489 without restraints) Performing minimization step: 1521. Total energy = 949330.4624 kcal/mol (949036.3603 without restraints) Performing minimization step: 1522. Total energy = 946842.9877 kcal/mol (946549.8761 without restraints) Performing minimization step: 1523. Total energy = 944363.8880 kcal/mol (944071.7630 without restraints) Performing minimization step: 1524. Total energy = 941893.1298 kcal/mol (941601.9874 without restraints) Performing minimization step: 1525. Total energy = 939430.6800 kcal/mol (939140.5164 without restraints) Performing minimization step: 1526. Total energy = 936976.5059 kcal/mol (936687.3172 without restraints) Performing minimization step: 1527. Total energy = 934530.5745 kcal/mol (934242.3567 without restraints) Performing minimization step: 1528. Total energy = 932092.8530 kcal/mol (931805.6023 without restraints) Performing minimization step: 1529. Total energy = 929663.3090 kcal/mol (929377.0216 without restraints) Performing minimization step: 1530. Total energy = 927241.9101 kcal/mol (926956.5823 without restraints) Performing minimization step: 1531. Total energy = 924828.6241 kcal/mol (924544.2520 without restraints) Performing minimization step: 1532. Total energy = 922423.4189 kcal/mol (922139.9987 without restraints) Performing minimization step: 1533. Total energy = 920026.2626 kcal/mol (919743.7905 without restraints) Performing minimization step: 1534. Total energy = 917637.1231 kcal/mol (917355.5954 without restraints) Performing minimization step: 1535. Total energy = 915255.9692 kcal/mol (914975.3822 without restraints) Performing minimization step: 1536. Total energy = 912882.7692 kcal/mol (912603.1191 without restraints) Performing minimization step: 1537. Total energy = 910517.4914 kcal/mol (910238.7747 without restraints) Performing minimization step: 1538. Total energy = 908160.1056 kcal/mol (907882.3184 without restraints) Performing minimization step: 1539. Total energy = 905810.5792 kcal/mol (905533.7180 without restraints) Performing minimization step: 1540. Total energy = 903468.8824 kcal/mol (903192.9435 without restraints) Performing minimization step: 1541. Total energy = 901134.9838 kcal/mol (900859.9635 without restraints) Performing minimization step: 1542. Total energy = 898808.8531 kcal/mol (898534.7480 without restraints) Performing minimization step: 1543. Total energy = 896490.4597 kcal/mol (896217.2660 without restraints) Performing minimization step: 1544. Total energy = 894179.7729 kcal/mol (893907.4871 without restraints) Performing minimization step: 1545. Total energy = 891876.7626 kcal/mol (891605.3809 without restraints) Performing minimization step: 1546. Total energy = 889581.3985 kcal/mol (889310.9177 without restraints) Performing minimization step: 1547. Total energy = 887293.6510 kcal/mol (887024.0674 without restraints) Performing minimization step: 1548. Total energy = 885013.4900 kcal/mol (884744.8001 without restraints) Performing minimization step: 1549. Total energy = 882740.8858 kcal/mol (882473.0862 without restraints) Performing minimization step: 1550. Total energy = 880475.8090 kcal/mol (880208.8961 without restraints) Performing minimization step: 1551. Total energy = 878218.2297 kcal/mol (877952.1999 without restraints) Performing minimization step: 1552. Total energy = 875968.1186 kcal/mol (875702.9686 without restraints) Performing minimization step: 1553. Total energy = 873725.4466 kcal/mol (873461.1730 without restraints) Performing minimization step: 1554. Total energy = 871490.1845 kcal/mol (871226.7838 without restraints) Performing minimization step: 1555. Total energy = 869262.3037 kcal/mol (868999.7725 without restraints) Performing minimization step: 1556. Total energy = 867041.7754 kcal/mol (866780.1104 without restraints) Performing minimization step: 1557. Total energy = 864828.5705 kcal/mol (864567.7682 without restraints) Performing minimization step: 1558. Total energy = 862622.6606 kcal/mol (862362.7177 without restraints) Performing minimization step: 1559. Total energy = 860424.0173 kcal/mol (860164.9304 without restraints) Performing minimization step: 1560. Total energy = 858232.6120 kcal/mol (857974.3778 without restraints) Performing minimization step: 1561. Total energy = 856048.4170 kcal/mol (855791.0323 without restraints) Performing minimization step: 1562. Total energy = 853871.4043 kcal/mol (853614.8656 without restraints) Performing minimization step: 1563. Total energy = 851701.5454 kcal/mol (851445.8495 without restraints) Performing minimization step: 1564. Total energy = 849538.8129 kcal/mol (849283.9564 without restraints) Performing minimization step: 1565. Total energy = 847383.1789 kcal/mol (847129.1587 without restraints) Performing minimization step: 1566. Total energy = 845234.6160 kcal/mol (844981.4289 without restraints) Performing minimization step: 1567. Total energy = 843093.0966 kcal/mol (842840.7392 without restraints) Performing minimization step: 1568. Total energy = 840958.5932 kcal/mol (840707.0623 without restraints) Performing minimization step: 1569. Total energy = 838831.0790 kcal/mol (838580.3714 without restraints) Performing minimization step: 1570. Total energy = 836710.5264 kcal/mol (836460.6389 without restraints) Performing minimization step: 1571. Total energy = 834596.9090 kcal/mol (834347.8386 without restraints) Performing minimization step: 1572. Total energy = 832490.1999 kcal/mol (832241.9433 without restraints) Performing minimization step: 1573. Total energy = 830390.3721 kcal/mol (830142.9262 without restraints) Performing minimization step: 1574. Total energy = 828297.3991 kcal/mol (828050.7607 without restraints) Performing minimization step: 1575. Total energy = 826211.2544 kcal/mol (825965.4204 without restraints) Performing minimization step: 1576. Total energy = 824131.9118 kcal/mol (823886.8791 without restraints) Performing minimization step: 1577. Total energy = 822059.3445 kcal/mol (821815.1101 without restraints) Performing minimization step: 1578. Total energy = 819993.5269 kcal/mol (819750.0876 without restraints) Performing minimization step: 1579. Total energy = 817934.4329 kcal/mol (817691.7856 without restraints) Performing minimization step: 1580. Total energy = 815882.0363 kcal/mol (815640.1780 without restraints) Performing minimization step: 1581. Total energy = 813836.3113 kcal/mol (813595.2390 without restraints) Performing minimization step: 1582. Total energy = 811797.2324 kcal/mol (811556.9431 without restraints) Performing minimization step: 1583. Total energy = 809764.7740 kcal/mol (809525.2646 without restraints) Performing minimization step: 1584. Total energy = 807738.9106 kcal/mol (807500.1782 without restraints) Performing minimization step: 1585. Total energy = 805719.6171 kcal/mol (805481.6586 without restraints) Performing minimization step: 1586. Total energy = 803706.8678 kcal/mol (803469.6802 without restraints) Performing minimization step: 1587. Total energy = 801700.6375 kcal/mol (801464.2180 without restraints) Performing minimization step: 1588. Total energy = 799700.9015 kcal/mol (799465.2471 without restraints) Performing minimization step: 1589. Total energy = 797707.6353 kcal/mol (797472.7429 without restraints) Performing minimization step: 1590. Total energy = 795720.8133 kcal/mol (795486.6802 without restraints) Performing minimization step: 1591. Total energy = 793740.4112 kcal/mol (793507.0344 without restraints) Performing minimization step: 1592. Total energy = 791766.4044 kcal/mol (791533.7810 without restraints) Performing minimization step: 1593. Total energy = 789798.7685 kcal/mol (789566.8957 without restraints) Performing minimization step: 1594. Total energy = 787837.4788 kcal/mol (787606.3536 without restraints) Performing minimization step: 1595. Total energy = 785882.5113 kcal/mol (785652.1308 without restraints) Performing minimization step: 1596. Total energy = 783933.8416 kcal/mol (783704.2032 without restraints) Performing minimization step: 1597. Total energy = 781991.4459 kcal/mol (781762.5466 without restraints) Performing minimization step: 1598. Total energy = 780055.3002 kcal/mol (779827.1371 without restraints) Performing minimization step: 1599. Total energy = 778125.3806 kcal/mol (777897.9510 without restraints) Performing minimization step: 1600. Total energy = 776201.6633 kcal/mol (775974.9644 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1601. Total energy = 774284.1247 kcal/mol (774058.1538 without restraints) Performing minimization step: 1602. Total energy = 772372.7413 kcal/mol (772147.4955 without restraints) Performing minimization step: 1603. Total energy = 770467.4897 kcal/mol (770242.9663 without restraints) Performing minimization step: 1604. Total energy = 768568.3465 kcal/mol (768344.5427 without restraints) Performing minimization step: 1605. Total energy = 766675.2885 kcal/mol (766452.2016 without restraints) Performing minimization step: 1606. Total energy = 764788.2925 kcal/mol (764565.9198 without restraints) Performing minimization step: 1607. Total energy = 762907.3356 kcal/mol (762685.6743 without restraints) Performing minimization step: 1608. Total energy = 761032.3947 kcal/mol (760811.4422 without restraints) Performing minimization step: 1609. Total energy = 759163.4471 kcal/mol (758943.2006 without restraints) Performing minimization step: 1610. Total energy = 757300.4700 kcal/mol (757080.9269 without restraints) Performing minimization step: 1611. Total energy = 755443.4408 kcal/mol (755224.5984 without restraints) Performing minimization step: 1612. Total energy = 753592.3370 kcal/mol (753374.1926 without restraints) Performing minimization step: 1613. Total energy = 751747.1362 kcal/mol (751529.6874 without restraints) Performing minimization step: 1614. Total energy = 749907.8160 kcal/mol (749691.0599 without restraints) Performing minimization step: 1615. Total energy = 748074.3540 kcal/mol (747858.2880 without restraints) Performing minimization step: 1616. Total energy = 746246.7283 kcal/mol (746031.3499 without restraints) Performing minimization step: 1617. Total energy = 744424.9164 kcal/mol (744210.2230 without restraints) Performing minimization step: 1618. Total energy = 742608.8966 kcal/mol (742394.8856 without restraints) Performing minimization step: 1619. Total energy = 740798.6473 kcal/mol (740585.3161 without restraints) Performing minimization step: 1620. Total energy = 738994.1466 kcal/mol (738781.4926 without restraints) Performing minimization step: 1621. Total energy = 737195.3726 kcal/mol (736983.3933 without restraints) Performing minimization step: 1622. Total energy = 735402.3043 kcal/mol (735190.9973 without restraints) Performing minimization step: 1623. Total energy = 733614.9197 kcal/mol (733404.2822 without restraints) Performing minimization step: 1624. Total energy = 731833.1972 kcal/mol (731623.2268 without restraints) Performing minimization step: 1625. Total energy = 730057.1158 kcal/mol (729847.8099 without restraints) Performing minimization step: 1626. Total energy = 728286.6542 kcal/mol (728078.0105 without restraints) Performing minimization step: 1627. Total energy = 726521.7914 kcal/mol (726313.8073 without restraints) Performing minimization step: 1628. Total energy = 724762.5063 kcal/mol (724555.1793 without restraints) Performing minimization step: 1629. Total energy = 723008.7779 kcal/mol (722802.1056 without restraints) Performing minimization step: 1630. Total energy = 721260.5855 kcal/mol (721054.5653 without restraints) Performing minimization step: 1631. Total energy = 719517.9083 kcal/mol (719312.5380 without restraints) Performing minimization step: 1632. Total energy = 717780.7256 kcal/mol (717576.0025 without restraints) Performing minimization step: 1633. Total energy = 716049.0164 kcal/mol (715844.9382 without restraints) Performing minimization step: 1634. Total energy = 714322.7605 kcal/mol (714119.3248 without restraints) Performing minimization step: 1635. Total energy = 712601.9381 kcal/mol (712399.1424 without restraints) Performing minimization step: 1636. Total energy = 710886.5282 kcal/mol (710684.3702 without restraints) Performing minimization step: 1637. Total energy = 709176.5108 kcal/mol (708974.9881 without restraints) Performing minimization step: 1638. Total energy = 707471.8657 kcal/mol (707270.9759 without restraints) Performing minimization step: 1639. Total energy = 705772.5728 kcal/mol (705572.3136 without restraints) Performing minimization step: 1640. Total energy = 704078.6122 kcal/mol (703878.9812 without restraints) Performing minimization step: 1641. Total energy = 702389.9641 kcal/mol (702190.9590 without restraints) Performing minimization step: 1642. Total energy = 700706.6084 kcal/mol (700508.2268 without restraints) Performing minimization step: 1643. Total energy = 699028.5255 kcal/mol (698830.7651 without restraints) Performing minimization step: 1644. Total energy = 697355.6958 kcal/mol (697158.5544 without restraints) Performing minimization step: 1645. Total energy = 695688.0998 kcal/mol (695491.5749 without restraints) Performing minimization step: 1646. Total energy = 694025.7180 kcal/mol (693829.8075 without restraints) Performing minimization step: 1647. Total energy = 692368.5310 kcal/mol (692173.2324 without restraints) Performing minimization step: 1648. Total energy = 690716.5194 kcal/mol (690521.8306 without restraints) Performing minimization step: 1649. Total energy = 689069.6641 kcal/mol (688875.5828 without restraints) Performing minimization step: 1650. Total energy = 687427.9460 kcal/mol (687234.4699 without restraints) Performing minimization step: 1651. Total energy = 685791.3459 kcal/mol (685598.4729 without restraints) Performing minimization step: 1652. Total energy = 684159.8450 kcal/mol (683967.5726 without restraints) Performing minimization step: 1653. Total energy = 682533.4241 kcal/mol (682341.7503 without restraints) Performing minimization step: 1654. Total energy = 680912.0647 kcal/mol (680720.9872 without restraints) Performing minimization step: 1655. Total energy = 679295.7480 kcal/mol (679105.2646 without restraints) Performing minimization step: 1656. Total energy = 677684.4553 kcal/mol (677494.5638 without restraints) Performing minimization step: 1657. Total energy = 676078.1680 kcal/mol (675888.8663 without restraints) Performing minimization step: 1658. Total energy = 674476.8678 kcal/mol (674288.1536 without restraints) Performing minimization step: 1659. Total energy = 672880.5359 kcal/mol (672692.4070 without restraints) Performing minimization step: 1660. Total energy = 671289.1541 kcal/mol (671101.6084 without restraints) Performing minimization step: 1661. Total energy = 669702.7041 kcal/mol (669515.7395 without restraints) Performing minimization step: 1662. Total energy = 668121.1680 kcal/mol (667934.7824 without restraints) Performing minimization step: 1663. Total energy = 666544.5274 kcal/mol (666358.7185 without restraints) Performing minimization step: 1664. Total energy = 664972.7643 kcal/mol (664787.5301 without restraints) Performing minimization step: 1665. Total energy = 663405.8608 kcal/mol (663221.1991 without restraints) Performing minimization step: 1666. Total energy = 661843.7990 kcal/mol (661659.7077 without restraints) Performing minimization step: 1667. Total energy = 660286.5611 kcal/mol (660103.0381 without restraints) Performing minimization step: 1668. Total energy = 658734.1293 kcal/mol (658551.1726 without restraints) Performing minimization step: 1669. Total energy = 657186.4861 kcal/mol (657004.0935 without restraints) Performing minimization step: 1670. Total energy = 655643.6138 kcal/mol (655461.7833 without restraints) Performing minimization step: 1671. Total energy = 654105.4949 kcal/mol (653924.2245 without restraints) Performing minimization step: 1672. Total energy = 652572.1120 kcal/mol (652391.3995 without restraints) Performing minimization step: 1673. Total energy = 651043.4477 kcal/mol (650863.2912 without restraints) Performing minimization step: 1674. Total energy = 649519.4848 kcal/mol (649339.8822 without restraints) Performing minimization step: 1675. Total energy = 648000.2060 kcal/mol (647821.1553 without restraints) Performing minimization step: 1676. Total energy = 646485.5944 kcal/mol (646307.0935 without restraints) Performing minimization step: 1677. Total energy = 644975.6324 kcal/mol (644797.6792 without restraints) Performing minimization step: 1678. Total energy = 643470.3033 kcal/mol (643292.8961 without restraints) Performing minimization step: 1679. Total energy = 641969.5905 kcal/mol (641792.7271 without restraints) Performing minimization step: 1680. Total energy = 640473.4767 kcal/mol (640297.1552 without restraints) Performing minimization step: 1681. Total energy = 638981.9452 kcal/mol (638806.1636 without restraints) Performing minimization step: 1682. Total energy = 637494.9793 kcal/mol (637319.7356 without restraints) Performing minimization step: 1683. Total energy = 636012.5625 kcal/mol (635837.8547 without restraints) Performing minimization step: 1684. Total energy = 634534.6780 kcal/mol (634360.5043 without restraints) Performing minimization step: 1685. Total energy = 633061.3094 kcal/mol (632887.6676 without restraints) Performing minimization step: 1686. Total energy = 631592.4402 kcal/mol (631419.3287 without restraints) Performing minimization step: 1687. Total energy = 630128.0542 kcal/mol (629955.4709 without restraints) Performing minimization step: 1688. Total energy = 628668.1351 kcal/mol (628496.0780 without restraints) Performing minimization step: 1689. Total energy = 627212.6665 kcal/mol (627041.1338 without restraints) Performing minimization step: 1690. Total energy = 625761.6323 kcal/mol (625590.6220 without restraints) Performing minimization step: 1691. Total energy = 624315.0166 kcal/mol (624144.5269 without restraints) Performing minimization step: 1692. Total energy = 622872.8030 kcal/mol (622702.8320 without restraints) Performing minimization step: 1693. Total energy = 621434.9756 kcal/mol (621265.5214 without restraints) Performing minimization step: 1694. Total energy = 620001.5188 kcal/mol (619832.5795 without restraints) Performing minimization step: 1695. Total energy = 618572.4166 kcal/mol (618403.9904 without restraints) Performing minimization step: 1696. Total energy = 617147.6533 kcal/mol (616979.7383 without restraints) Performing minimization step: 1697. Total energy = 615727.2134 kcal/mol (615559.8077 without restraints) Performing minimization step: 1698. Total energy = 614311.0807 kcal/mol (614144.1825 without restraints) Performing minimization step: 1699. Total energy = 612899.2399 kcal/mol (612732.8474 without restraints) Performing minimization step: 1700. Total energy = 611491.6757 kcal/mol (611325.7871 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1701. Total energy = 610088.3725 kcal/mol (609922.9859 without restraints) Performing minimization step: 1702. Total energy = 608689.3149 kcal/mol (608524.4285 without restraints) Performing minimization step: 1703. Total energy = 607294.4876 kcal/mol (607130.0997 without restraints) Performing minimization step: 1704. Total energy = 605903.8754 kcal/mol (605739.9841 without restraints) Performing minimization step: 1705. Total energy = 604517.4631 kcal/mol (604354.0666 without restraints) Performing minimization step: 1706. Total energy = 603135.2356 kcal/mol (602972.3322 without restraints) Performing minimization step: 1707. Total energy = 601757.1781 kcal/mol (601594.7659 without restraints) Performing minimization step: 1708. Total energy = 600383.2748 kcal/mol (600221.3522 without restraints) Performing minimization step: 1709. Total energy = 599013.5118 kcal/mol (598852.0770 without restraints) Performing minimization step: 1710. Total energy = 597647.8733 kcal/mol (597486.9245 without restraints) Performing minimization step: 1711. Total energy = 596286.3450 kcal/mol (596125.8805 without restraints) Performing minimization step: 1712. Total energy = 594928.9123 kcal/mol (594768.9303 without restraints) Performing minimization step: 1713. Total energy = 593575.5603 kcal/mol (593416.0590 without restraints) Performing minimization step: 1714. Total energy = 592226.2744 kcal/mol (592067.2522 without restraints) Performing minimization step: 1715. Total energy = 590881.0400 kcal/mol (590722.4952 without restraints) Performing minimization step: 1716. Total energy = 589539.8426 kcal/mol (589381.7734 without restraints) Performing minimization step: 1717. Total energy = 588202.6678 kcal/mol (588045.0726 without restraints) Performing minimization step: 1718. Total energy = 586869.5012 kcal/mol (586712.3782 without restraints) Performing minimization step: 1719. Total energy = 585540.3286 kcal/mol (585383.6763 without restraints) Performing minimization step: 1720. Total energy = 584215.1353 kcal/mol (584058.9518 without restraints) Performing minimization step: 1721. Total energy = 582893.9075 kcal/mol (582738.1913 without restraints) Performing minimization step: 1722. Total energy = 581576.6312 kcal/mol (581421.3805 without restraints) Performing minimization step: 1723. Total energy = 580263.2919 kcal/mol (580108.5050 without restraints) Performing minimization step: 1724. Total energy = 578953.8757 kcal/mol (578799.5511 without restraints) Performing minimization step: 1725. Total energy = 577648.3686 kcal/mol (577494.5046 without restraints) Performing minimization step: 1726. Total energy = 576346.7568 kcal/mol (576193.3517 without restraints) Performing minimization step: 1727. Total energy = 575049.0263 kcal/mol (574896.0786 without restraints) Performing minimization step: 1728. Total energy = 573755.1637 kcal/mol (573602.6716 without restraints) Performing minimization step: 1729. Total energy = 572465.1546 kcal/mol (572313.1166 without restraints) Performing minimization step: 1730. Total energy = 571178.9858 kcal/mol (571027.4002 without restraints) Performing minimization step: 1731. Total energy = 569896.6434 kcal/mol (569745.5088 without restraints) Performing minimization step: 1732. Total energy = 568618.1142 kcal/mol (568467.4289 without restraints) Performing minimization step: 1733. Total energy = 567343.3845 kcal/mol (567193.1467 without restraints) Performing minimization step: 1734. Total energy = 566072.4404 kcal/mol (565922.6488 without restraints) Performing minimization step: 1735. Total energy = 564805.2690 kcal/mol (564655.9218 without restraints) Performing minimization step: 1736. Total energy = 563541.8567 kcal/mol (563392.9524 without restraints) Performing minimization step: 1737. Total energy = 562282.1905 kcal/mol (562133.7276 without restraints) Performing minimization step: 1738. Total energy = 561026.2568 kcal/mol (560878.2337 without restraints) Performing minimization step: 1739. Total energy = 559774.0426 kcal/mol (559626.4579 without restraints) Performing minimization step: 1740. Total energy = 558525.5349 kcal/mol (558378.3868 without restraints) Performing minimization step: 1741. Total energy = 557280.7202 kcal/mol (557134.0073 without restraints) Performing minimization step: 1742. Total energy = 556039.5857 kcal/mol (555893.3064 without restraints) Performing minimization step: 1743. Total energy = 554802.1185 kcal/mol (554656.2712 without restraints) Performing minimization step: 1744. Total energy = 553568.3055 kcal/mol (553422.8888 without restraints) Performing minimization step: 1745. Total energy = 552338.1340 kcal/mol (552193.1464 without restraints) Performing minimization step: 1746. Total energy = 551111.5912 kcal/mol (550967.0311 without restraints) Performing minimization step: 1747. Total energy = 549888.6641 kcal/mol (549744.5301 without restraints) Performing minimization step: 1748. Total energy = 548669.3405 kcal/mol (548525.6310 without restraints) Performing minimization step: 1749. Total energy = 547453.6072 kcal/mol (547310.3207 without restraints) Performing minimization step: 1750. Total energy = 546241.4517 kcal/mol (546098.5868 without restraints) Performing minimization step: 1751. Total energy = 545032.8615 kcal/mol (544890.4167 without restraints) Performing minimization step: 1752. Total energy = 543827.8241 kcal/mol (543685.7979 without restraints) Performing minimization step: 1753. Total energy = 542626.3273 kcal/mol (542484.7183 without restraints) Performing minimization step: 1754. Total energy = 541428.3582 kcal/mol (541287.1649 without restraints) Performing minimization step: 1755. Total energy = 540233.9047 kcal/mol (540093.1256 without restraints) Performing minimization step: 1756. Total energy = 539042.9546 kcal/mol (538902.5883 without restraints) Performing minimization step: 1757. Total energy = 537855.4957 kcal/mol (537715.5408 without restraints) Performing minimization step: 1758. Total energy = 536671.5155 kcal/mol (536531.9704 without restraints) Performing minimization step: 1759. Total energy = 535491.0019 kcal/mol (535351.8653 without restraints) Performing minimization step: 1760. Total energy = 534313.9429 kcal/mol (534175.2133 without restraints) Performing minimization step: 1761. Total energy = 533140.3264 kcal/mol (533002.0024 without restraints) Performing minimization step: 1762. Total energy = 531970.1406 kcal/mol (531832.2208 without restraints) Performing minimization step: 1763. Total energy = 530803.3733 kcal/mol (530665.8564 without restraints) Performing minimization step: 1764. Total energy = 529640.0125 kcal/mol (529502.8969 without restraints) Performing minimization step: 1765. Total energy = 528480.0464 kcal/mol (528343.3309 without restraints) Performing minimization step: 1766. Total energy = 527323.4633 kcal/mol (527187.1464 without restraints) Performing minimization step: 1767. Total energy = 526170.2515 kcal/mol (526034.3318 without restraints) Performing minimization step: 1768. Total energy = 525020.3988 kcal/mol (524884.8750 without restraints) Performing minimization step: 1769. Total energy = 523873.8944 kcal/mol (523738.7651 without restraints) Performing minimization step: 1770. Total energy = 522730.7261 kcal/mol (522595.9898 without restraints) Performing minimization step: 1771. Total energy = 521590.8823 kcal/mol (521456.5377 without restraints) Performing minimization step: 1772. Total energy = 520454.3516 kcal/mol (520320.3974 without restraints) Performing minimization step: 1773. Total energy = 519321.1224 kcal/mol (519187.5573 without restraints) Performing minimization step: 1774. Total energy = 518191.1835 kcal/mol (518058.0060 without restraints) Performing minimization step: 1775. Total energy = 517064.5233 kcal/mol (516931.7322 without restraints) Performing minimization step: 1776. Total energy = 515941.1305 kcal/mol (515808.7244 without restraints) Performing minimization step: 1777. Total energy = 514820.9938 kcal/mol (514688.9714 without restraints) Performing minimization step: 1778. Total energy = 513704.1021 kcal/mol (513572.4620 without restraints) Performing minimization step: 1779. Total energy = 512590.4439 kcal/mol (512459.1848 without restraints) Performing minimization step: 1780. Total energy = 511480.0087 kcal/mol (511349.1294 without restraints) Performing minimization step: 1781. Total energy = 510372.7845 kcal/mol (510242.2835 without restraints) Performing minimization step: 1782. Total energy = 509268.7605 kcal/mol (509138.6366 without restraints) Performing minimization step: 1783. Total energy = 508167.9258 kcal/mol (508038.1776 without restraints) Performing minimization step: 1784. Total energy = 507070.2693 kcal/mol (506940.8957 without restraints) Performing minimization step: 1785. Total energy = 505975.7802 kcal/mol (505846.7798 without restraints) Performing minimization step: 1786. Total energy = 504884.4475 kcal/mol (504755.8189 without restraints) Performing minimization step: 1787. Total energy = 503796.2603 kcal/mol (503668.0025 without restraints) Performing minimization step: 1788. Total energy = 502711.2081 kcal/mol (502583.3197 without restraints) Performing minimization step: 1789. Total energy = 501629.2799 kcal/mol (501501.7596 without restraints) Performing minimization step: 1790. Total energy = 500550.4652 kcal/mol (500423.3117 without restraints) Performing minimization step: 1791. Total energy = 499474.7527 kcal/mol (499347.9648 without restraints) Performing minimization step: 1792. Total energy = 498402.1323 kcal/mol (498275.7088 without restraints) Performing minimization step: 1793. Total energy = 497332.5934 kcal/mol (497206.5329 without restraints) Performing minimization step: 1794. Total energy = 496266.1253 kcal/mol (496140.4267 without restraints) Performing minimization step: 1795. Total energy = 495202.7176 kcal/mol (495077.3795 without restraints) Performing minimization step: 1796. Total energy = 494142.3595 kcal/mol (494017.3810 without restraints) Performing minimization step: 1797. Total energy = 493085.0411 kcal/mol (492960.4206 without restraints) Performing minimization step: 1798. Total energy = 492030.7517 kcal/mol (491906.4881 without restraints) Performing minimization step: 1799. Total energy = 490979.4810 kcal/mol (490855.5731 without restraints) Performing minimization step: 1800. Total energy = 489931.2186 kcal/mol (489807.6652 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1801. Total energy = 488885.9544 kcal/mol (488762.7543 without restraints) Performing minimization step: 1802. Total energy = 487843.6782 kcal/mol (487720.8301 without restraints) Performing minimization step: 1803. Total energy = 486804.3796 kcal/mol (486681.8824 without restraints) Performing minimization step: 1804. Total energy = 485768.0487 kcal/mol (485645.9011 without restraints) Performing minimization step: 1805. Total energy = 484734.6752 kcal/mol (484612.8762 without restraints) Performing minimization step: 1806. Total energy = 483704.2493 kcal/mol (483582.7977 without restraints) Performing minimization step: 1807. Total energy = 482676.7609 kcal/mol (482555.6553 without restraints) Performing minimization step: 1808. Total energy = 481652.1997 kcal/mol (481531.4391 without restraints) Performing minimization step: 1809. Total energy = 480630.5561 kcal/mol (480510.1393 without restraints) Performing minimization step: 1810. Total energy = 479611.8201 kcal/mol (479491.7457 without restraints) Performing minimization step: 1811. Total energy = 478595.9817 kcal/mol (478476.2489 without restraints) Performing minimization step: 1812. Total energy = 477583.0314 kcal/mol (477463.6389 without restraints) Performing minimization step: 1813. Total energy = 476572.9591 kcal/mol (476453.9057 without restraints) Performing minimization step: 1814. Total energy = 475565.7553 kcal/mol (475447.0399 without restraints) Performing minimization step: 1815. Total energy = 474561.4103 kcal/mol (474443.0318 without restraints) Performing minimization step: 1816. Total energy = 473559.9143 kcal/mol (473441.8715 without restraints) Performing minimization step: 1817. Total energy = 472561.2579 kcal/mol (472443.5497 without restraints) Performing minimization step: 1818. Total energy = 471565.4311 kcal/mol (471448.0564 without restraints) Performing minimization step: 1819. Total energy = 470572.4246 kcal/mol (470455.3822 without restraints) Performing minimization step: 1820. Total energy = 469582.2292 kcal/mol (469465.5180 without restraints) Performing minimization step: 1821. Total energy = 468594.8347 kcal/mol (468478.4536 without restraints) Performing minimization step: 1822. Total energy = 467610.2323 kcal/mol (467494.1802 without restraints) Performing minimization step: 1823. Total energy = 466628.4122 kcal/mol (466512.6879 without restraints) Performing minimization step: 1824. Total energy = 465649.3651 kcal/mol (465533.9676 without restraints) Performing minimization step: 1825. Total energy = 464673.0818 kcal/mol (464558.0099 without restraints) Performing minimization step: 1826. Total energy = 463699.5529 kcal/mol (463584.8057 without restraints) Performing minimization step: 1827. Total energy = 462728.7693 kcal/mol (462614.3456 without restraints) Performing minimization step: 1828. Total energy = 461760.7217 kcal/mol (461646.6203 without restraints) Performing minimization step: 1829. Total energy = 460795.4008 kcal/mol (460681.6208 without restraints) Performing minimization step: 1830. Total energy = 459832.7977 kcal/mol (459719.3378 without restraints) Performing minimization step: 1831. Total energy = 458872.9031 kcal/mol (458759.7624 without restraints) Performing minimization step: 1832. Total energy = 457915.7079 kcal/mol (457802.8853 without restraints) Performing minimization step: 1833. Total energy = 456961.2032 kcal/mol (456848.6977 without restraints) Performing minimization step: 1834. Total energy = 456009.3800 kcal/mol (455897.1904 without restraints) Performing minimization step: 1835. Total energy = 455060.2293 kcal/mol (454948.3548 without restraints) Performing minimization step: 1836. Total energy = 454113.7423 kcal/mol (454002.1815 without restraints) Performing minimization step: 1837. Total energy = 453169.9099 kcal/mol (453058.6619 without restraints) Performing minimization step: 1838. Total energy = 452228.7231 kcal/mol (452117.7869 without restraints) Performing minimization step: 1839. Total energy = 451290.1734 kcal/mol (451179.5479 without restraints) Performing minimization step: 1840. Total energy = 450354.2518 kcal/mol (450243.9360 without restraints) Performing minimization step: 1841. Total energy = 449420.9496 kcal/mol (449310.9425 without restraints) Performing minimization step: 1842. Total energy = 448490.2581 kcal/mol (448380.5586 without restraints) Performing minimization step: 1843. Total energy = 447562.1686 kcal/mol (447452.7757 without restraints) Performing minimization step: 1844. Total energy = 446636.6725 kcal/mol (446527.5852 without restraints) Performing minimization step: 1845. Total energy = 445713.7611 kcal/mol (445604.9784 without restraints) Performing minimization step: 1846. Total energy = 444793.4258 kcal/mol (444684.9467 without restraints) Performing minimization step: 1847. Total energy = 443875.6581 kcal/mol (443767.4816 without restraints) Performing minimization step: 1848. Total energy = 442960.4498 kcal/mol (442852.5748 without restraints) Performing minimization step: 1849. Total energy = 442047.7918 kcal/mol (441940.2173 without restraints) Performing minimization step: 1850. Total energy = 441137.6759 kcal/mol (441030.4010 without restraints) Performing minimization step: 1851. Total energy = 440230.0937 kcal/mol (440123.1174 without restraints) Performing minimization step: 1852. Total energy = 439325.0371 kcal/mol (439218.3583 without restraints) Performing minimization step: 1853. Total energy = 438422.4971 kcal/mol (438316.1150 without restraints) Performing minimization step: 1854. Total energy = 437522.4660 kcal/mol (437416.3796 without restraints) Performing minimization step: 1855. Total energy = 436624.9352 kcal/mol (436519.1433 without restraints) Performing minimization step: 1856. Total energy = 435729.8964 kcal/mol (435624.3982 without restraints) Performing minimization step: 1857. Total energy = 434837.3415 kcal/mol (434732.1360 without restraints) Performing minimization step: 1858. Total energy = 433947.2623 kcal/mol (433842.3485 without restraints) Performing minimization step: 1859. Total energy = 433059.6506 kcal/mol (432955.0275 without restraints) Performing minimization step: 1860. Total energy = 432174.4982 kcal/mol (432070.1650 without restraints) Performing minimization step: 1861. Total energy = 431291.7972 kcal/mol (431187.7528 without restraints) Performing minimization step: 1862. Total energy = 430411.5394 kcal/mol (430307.7829 without restraints) Performing minimization step: 1863. Total energy = 429533.7167 kcal/mol (429430.2472 without restraints) Performing minimization step: 1864. Total energy = 428658.3215 kcal/mol (428555.1380 without restraints) Performing minimization step: 1865. Total energy = 427785.3452 kcal/mol (427682.4468 without restraints) Performing minimization step: 1866. Total energy = 426914.7807 kcal/mol (426812.1665 without restraints) Performing minimization step: 1867. Total energy = 426046.6192 kcal/mol (425944.2882 without restraints) Performing minimization step: 1868. Total energy = 425180.8530 kcal/mol (425078.8043 without restraints) Performing minimization step: 1869. Total energy = 424317.4744 kcal/mol (424215.7070 without restraints) Performing minimization step: 1870. Total energy = 423456.4756 kcal/mol (423354.9887 without restraints) Performing minimization step: 1871. Total energy = 422597.8488 kcal/mol (422496.6414 without restraints) Performing minimization step: 1872. Total energy = 421741.5866 kcal/mol (421640.6577 without restraints) Performing minimization step: 1873. Total energy = 420887.6808 kcal/mol (420787.0296 without restraints) Performing minimization step: 1874. Total energy = 420036.1235 kcal/mol (419935.7492 without restraints) Performing minimization step: 1875. Total energy = 419186.9074 kcal/mol (419086.8090 without restraints) Performing minimization step: 1876. Total energy = 418340.0248 kcal/mol (418240.2013 without restraints) Performing minimization step: 1877. Total energy = 417495.4681 kcal/mol (417395.9187 without restraints) Performing minimization step: 1878. Total energy = 416653.2295 kcal/mol (416553.9533 without restraints) Performing minimization step: 1879. Total energy = 415813.3019 kcal/mol (415714.2979 without restraints) Performing minimization step: 1880. Total energy = 414975.6776 kcal/mol (414876.9451 without restraints) Performing minimization step: 1881. Total energy = 414140.3489 kcal/mol (414041.8870 without restraints) Performing minimization step: 1882. Total energy = 413307.3085 kcal/mol (413209.1162 without restraints) Performing minimization step: 1883. Total energy = 412476.5488 kcal/mol (412378.6253 without restraints) Performing minimization step: 1884. Total energy = 411648.0626 kcal/mol (411550.4069 without restraints) Performing minimization step: 1885. Total energy = 410821.8424 kcal/mol (410724.4538 without restraints) Performing minimization step: 1886. Total energy = 409997.8809 kcal/mol (409900.7584 without restraints) Performing minimization step: 1887. Total energy = 409176.1707 kcal/mol (409079.3136 without restraints) Performing minimization step: 1888. Total energy = 408356.7046 kcal/mol (408260.1119 without restraints) Performing minimization step: 1889. Total energy = 407539.4752 kcal/mol (407443.1461 without restraints) Performing minimization step: 1890. Total energy = 406724.4756 kcal/mol (406628.4093 without restraints) Performing minimization step: 1891. Total energy = 405911.6982 kcal/mol (405815.8938 without restraints) Performing minimization step: 1892. Total energy = 405101.1359 kcal/mol (405005.5925 without restraints) Performing minimization step: 1893. Total energy = 404292.7817 kcal/mol (404197.4984 without restraints) Performing minimization step: 1894. Total energy = 403486.6283 kcal/mol (403391.6044 without restraints) Performing minimization step: 1895. Total energy = 402682.6686 kcal/mol (402587.9032 without restraints) Performing minimization step: 1896. Total energy = 401880.8955 kcal/mol (401786.3879 without restraints) Performing minimization step: 1897. Total energy = 401081.3022 kcal/mol (400987.0513 without restraints) Performing minimization step: 1898. Total energy = 400283.8814 kcal/mol (400189.8866 without restraints) Performing minimization step: 1899. Total energy = 399488.6262 kcal/mol (399394.8866 without restraints) Performing minimization step: 1900. Total energy = 398695.5296 kcal/mol (398602.0445 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 1901. Total energy = 397904.5849 kcal/mol (397811.3532 without restraints) Performing minimization step: 1902. Total energy = 397115.7848 kcal/mol (397022.8059 without restraints) Performing minimization step: 1903. Total energy = 396329.1227 kcal/mol (396236.3957 without restraints) Performing minimization step: 1904. Total energy = 395544.5915 kcal/mol (395452.1157 without restraints) Performing minimization step: 1905. Total energy = 394762.1848 kcal/mol (394669.9593 without restraints) Performing minimization step: 1906. Total energy = 393981.8953 kcal/mol (393889.9193 without restraints) Performing minimization step: 1907. Total energy = 393203.7163 kcal/mol (393111.9890 without restraints) Performing minimization step: 1908. Total energy = 392427.6411 kcal/mol (392336.1618 without restraints) Performing minimization step: 1909. Total energy = 391653.6631 kcal/mol (391562.4309 without restraints) Performing minimization step: 1910. Total energy = 390881.7754 kcal/mol (390790.7896 without restraints) Performing minimization step: 1911. Total energy = 390111.9715 kcal/mol (390021.2312 without restraints) Performing minimization step: 1912. Total energy = 389344.2447 kcal/mol (389253.7492 without restraints) Performing minimization step: 1913. Total energy = 388578.5883 kcal/mol (388488.3368 without restraints) Performing minimization step: 1914. Total energy = 387814.9956 kcal/mol (387724.9873 without restraints) Performing minimization step: 1915. Total energy = 387053.4601 kcal/mol (386963.6942 without restraints) Performing minimization step: 1916. Total energy = 386293.9752 kcal/mol (386204.4510 without restraints) Performing minimization step: 1917. Total energy = 385536.5345 kcal/mol (385447.2512 without restraints) Performing minimization step: 1918. Total energy = 384781.1314 kcal/mol (384692.0882 without restraints) Performing minimization step: 1919. Total energy = 384027.7595 kcal/mol (383938.9556 without restraints) Performing minimization step: 1920. Total energy = 383276.4122 kcal/mol (383187.8469 without restraints) Performing minimization step: 1921. Total energy = 382527.0834 kcal/mol (382438.7559 without restraints) Performing minimization step: 1922. Total energy = 381779.7661 kcal/mol (381691.6758 without restraints) Performing minimization step: 1923. Total energy = 381034.4543 kcal/mol (380946.6003 without restraints) Performing minimization step: 1924. Total energy = 380291.1416 kcal/mol (380203.5232 without restraints) Performing minimization step: 1925. Total energy = 379549.8216 kcal/mol (379462.4380 without restraints) Performing minimization step: 1926. Total energy = 378810.4878 kcal/mol (378723.3384 without restraints) Performing minimization step: 1927. Total energy = 378073.1344 kcal/mol (377986.2183 without restraints) Performing minimization step: 1928. Total energy = 377337.7549 kcal/mol (377251.0715 without restraints) Performing minimization step: 1929. Total energy = 376604.3431 kcal/mol (376517.8914 without restraints) Performing minimization step: 1930. Total energy = 375872.8925 kcal/mol (375786.6720 without restraints) Performing minimization step: 1931. Total energy = 375143.3971 kcal/mol (375057.4070 without restraints) Performing minimization step: 1932. Total energy = 374415.8507 kcal/mol (374330.0903 without restraints) Performing minimization step: 1933. Total energy = 373690.2472 kcal/mol (373604.7157 without restraints) Performing minimization step: 1934. Total energy = 372966.5802 kcal/mol (372881.2770 without restraints) Performing minimization step: 1935. Total energy = 372244.8441 kcal/mol (372159.7684 without restraints) Performing minimization step: 1936. Total energy = 371525.0325 kcal/mol (371440.1836 without restraints) Performing minimization step: 1937. Total energy = 370807.1393 kcal/mol (370722.5164 without restraints) Performing minimization step: 1938. Total energy = 370091.1585 kcal/mol (370006.7611 without restraints) Performing minimization step: 1939. Total energy = 369377.0841 kcal/mol (369292.9114 without restraints) Performing minimization step: 1940. Total energy = 368664.9103 kcal/mol (368580.9615 without restraints) Performing minimization step: 1941. Total energy = 367954.6311 kcal/mol (367870.9057 without restraints) Performing minimization step: 1942. Total energy = 367246.2404 kcal/mol (367162.7374 without restraints) Performing minimization step: 1943. Total energy = 366539.7322 kcal/mol (366456.4511 without restraints) Performing minimization step: 1944. Total energy = 365835.1007 kcal/mol (365752.0408 without restraints) Performing minimization step: 1945. Total energy = 365132.3400 kcal/mol (365049.5005 without restraints) Performing minimization step: 1946. Total energy = 364431.4442 kcal/mol (364348.8246 without restraints) Performing minimization step: 1947. Total energy = 363732.4076 kcal/mol (363650.0070 without restraints) Performing minimization step: 1948. Total energy = 363035.2242 kcal/mol (362953.0421 without restraints) Performing minimization step: 1949. Total energy = 362339.8883 kcal/mol (362257.9239 without restraints) Performing minimization step: 1950. Total energy = 361646.3944 kcal/mol (361564.6470 without restraints) Performing minimization step: 1951. Total energy = 360954.7363 kcal/mol (360873.2052 without restraints) Performing minimization step: 1952. Total energy = 360264.9085 kcal/mol (360183.5932 without restraints) Performing minimization step: 1953. Total energy = 359576.9053 kcal/mol (359495.8050 without restraints) Performing minimization step: 1954. Total energy = 358890.7208 kcal/mol (358809.8348 without restraints) Performing minimization step: 1955. Total energy = 358206.3493 kcal/mol (358125.6770 without restraints) Performing minimization step: 1956. Total energy = 357523.7854 kcal/mol (357443.3261 without restraints) Performing minimization step: 1957. Total energy = 356843.0234 kcal/mol (356762.7765 without restraints) Performing minimization step: 1958. Total energy = 356164.0578 kcal/mol (356084.0225 without restraints) Performing minimization step: 1959. Total energy = 355486.8828 kcal/mol (355407.0586 without restraints) Performing minimization step: 1960. Total energy = 354811.4930 kcal/mol (354731.8792 without restraints) Performing minimization step: 1961. Total energy = 354137.8827 kcal/mol (354058.4787 without restraints) Performing minimization step: 1962. Total energy = 353466.0466 kcal/mol (353386.8516 without restraints) Performing minimization step: 1963. Total energy = 352795.9790 kcal/mol (352716.9924 without restraints) Performing minimization step: 1964. Total energy = 352127.6745 kcal/mol (352048.8957 without restraints) Performing minimization step: 1965. Total energy = 351461.1277 kcal/mol (351382.5560 without restraints) Performing minimization step: 1966. Total energy = 350796.3330 kcal/mol (350717.9678 without restraints) Performing minimization step: 1967. Total energy = 350133.2851 kcal/mol (350055.1258 without restraints) Performing minimization step: 1968. Total energy = 349471.9786 kcal/mol (349394.0245 without restraints) Performing minimization step: 1969. Total energy = 348812.4080 kcal/mol (348734.6585 without restraints) Performing minimization step: 1970. Total energy = 348154.5681 kcal/mol (348077.0225 without restraints) Performing minimization step: 1971. Total energy = 347498.4534 kcal/mol (347421.1112 without restraints) Performing minimization step: 1972. Total energy = 346844.0585 kcal/mol (346766.9190 without restraints) Performing minimization step: 1973. Total energy = 346191.3787 kcal/mol (346114.4412 without restraints) Performing minimization step: 1974. Total energy = 345540.4080 kcal/mol (345463.6720 without restraints) Performing minimization step: 1975. Total energy = 344891.1413 kcal/mol (344814.6062 without restraints) Performing minimization step: 1976. Total energy = 344243.5736 kcal/mol (344167.2386 without restraints) Performing minimization step: 1977. Total energy = 343597.6992 kcal/mol (343521.5638 without restraints) Performing minimization step: 1978. Total energy = 342953.5134 kcal/mol (342877.5771 without restraints) Performing minimization step: 1979. Total energy = 342311.0109 kcal/mol (342235.2730 without restraints) Performing minimization step: 1980. Total energy = 341670.1865 kcal/mol (341594.6463 without restraints) Performing minimization step: 1981. Total energy = 341031.0350 kcal/mol (340955.6919 without restraints) Performing minimization step: 1982. Total energy = 340393.5512 kcal/mol (340318.4046 without restraints) Performing minimization step: 1983. Total energy = 339757.7298 kcal/mol (339682.7791 without restraints) Performing minimization step: 1984. Total energy = 339123.5664 kcal/mol (339048.8112 without restraints) Performing minimization step: 1985. Total energy = 338491.0554 kcal/mol (338416.4950 without restraints) Performing minimization step: 1986. Total energy = 337860.1918 kcal/mol (337785.8255 without restraints) Performing minimization step: 1987. Total energy = 337230.9705 kcal/mol (337156.7978 without restraints) Performing minimization step: 1988. Total energy = 336603.3866 kcal/mol (336529.4068 without restraints) Performing minimization step: 1989. Total energy = 335977.4351 kcal/mol (335903.6477 without restraints) Performing minimization step: 1990. Total energy = 335353.1109 kcal/mol (335279.5153 without restraints) Performing minimization step: 1991. Total energy = 334730.4095 kcal/mol (334657.0051 without restraints) Performing minimization step: 1992. Total energy = 334109.3252 kcal/mol (334036.1114 without restraints) Performing minimization step: 1993. Total energy = 333489.8534 kcal/mol (333416.8297 without restraints) Performing minimization step: 1994. Total energy = 332871.9890 kcal/mol (332799.1547 without restraints) Performing minimization step: 1995. Total energy = 332255.7276 kcal/mol (332183.0822 without restraints) Performing minimization step: 1996. Total energy = 331641.0639 kcal/mol (331568.6068 without restraints) Performing minimization step: 1997. Total energy = 331027.9933 kcal/mol (330955.7239 without restraints) Performing minimization step: 1998. Total energy = 330416.5110 kcal/mol (330344.4288 without restraints) Performing minimization step: 1999. Total energy = 329806.6118 kcal/mol (329734.7162 without restraints) Performing minimization step: 2000. Total energy = 329198.2911 kcal/mol (329126.5816 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2001. Total energy = 328591.5441 kcal/mol (328520.0200 without restraints) Performing minimization step: 2002. Total energy = 327986.3662 kcal/mol (327915.0271 without restraints) Performing minimization step: 2003. Total energy = 327382.7526 kcal/mol (327311.5978 without restraints) Performing minimization step: 2004. Total energy = 326780.6982 kcal/mol (326709.7271 without restraints) Performing minimization step: 2005. Total energy = 326180.1986 kcal/mol (326109.4108 without restraints) Performing minimization step: 2006. Total energy = 325581.2489 kcal/mol (325510.6438 without restraints) Performing minimization step: 2007. Total energy = 324983.8445 kcal/mol (324913.4215 without restraints) Performing minimization step: 2008. Total energy = 324387.9808 kcal/mol (324317.7393 without restraints) Performing minimization step: 2009. Total energy = 323793.6530 kcal/mol (323723.5926 without restraints) Performing minimization step: 2010. Total energy = 323200.8566 kcal/mol (323130.9767 without restraints) Performing minimization step: 2011. Total energy = 322609.5869 kcal/mol (322539.8869 without restraints) Performing minimization step: 2012. Total energy = 322019.8394 kcal/mol (321950.3188 without restraints) Performing minimization step: 2013. Total energy = 321431.6094 kcal/mol (321362.2677 without restraints) Performing minimization step: 2014. Total energy = 320844.8924 kcal/mol (320775.7289 without restraints) Performing minimization step: 2015. Total energy = 320259.6838 kcal/mol (320190.6981 without restraints) Performing minimization step: 2016. Total energy = 319675.9790 kcal/mol (319607.1706 without restraints) Performing minimization step: 2017. Total energy = 319093.7736 kcal/mol (319025.1419 without restraints) Performing minimization step: 2018. Total energy = 318513.0631 kcal/mol (318444.6076 without restraints) Performing minimization step: 2019. Total energy = 317933.8427 kcal/mol (317865.5628 without restraints) Performing minimization step: 2020. Total energy = 317356.1083 kcal/mol (317288.0036 without restraints) Performing minimization step: 2021. Total energy = 316779.8556 kcal/mol (316711.9255 without restraints) Performing minimization step: 2022. Total energy = 316205.0797 kcal/mol (316137.3236 without restraints) Performing minimization step: 2023. Total energy = 315631.7763 kcal/mol (315564.1938 without restraints) Performing minimization step: 2024. Total energy = 315059.9411 kcal/mol (314992.5315 without restraints) Performing minimization step: 2025. Total energy = 314489.5695 kcal/mol (314422.3325 without restraints) Performing minimization step: 2026. Total energy = 313920.6573 kcal/mol (313853.5923 without restraints) Performing minimization step: 2027. Total energy = 313353.2001 kcal/mol (313286.3065 without restraints) Performing minimization step: 2028. Total energy = 312787.1935 kcal/mol (312720.4709 without restraints) Performing minimization step: 2029. Total energy = 312222.6332 kcal/mol (312156.0811 without restraints) Performing minimization step: 2030. Total energy = 311659.5150 kcal/mol (311593.1328 without restraints) Performing minimization step: 2031. Total energy = 311097.8344 kcal/mol (311031.6216 without restraints) Performing minimization step: 2032. Total energy = 310537.5871 kcal/mol (310471.5434 without restraints) Performing minimization step: 2033. Total energy = 309978.7691 kcal/mol (309912.8937 without restraints) Performing minimization step: 2034. Total energy = 309421.3759 kcal/mol (309355.6686 without restraints) Performing minimization step: 2035. Total energy = 308865.4034 kcal/mol (308799.8634 without restraints) Performing minimization step: 2036. Total energy = 308310.8472 kcal/mol (308245.4741 without restraints) Performing minimization step: 2037. Total energy = 307757.7031 kcal/mol (307692.4965 without restraints) Performing minimization step: 2038. Total energy = 307205.9668 kcal/mol (307140.9261 without restraints) Performing minimization step: 2039. Total energy = 306655.6345 kcal/mol (306590.7592 without restraints) Performing minimization step: 2040. Total energy = 306106.7018 kcal/mol (306041.9915 without restraints) Performing minimization step: 2041. Total energy = 305559.1645 kcal/mol (305494.6187 without restraints) Performing minimization step: 2042. Total energy = 305013.0186 kcal/mol (304948.6368 without restraints) Performing minimization step: 2043. Total energy = 304468.2600 kcal/mol (304404.0416 without restraints) Performing minimization step: 2044. Total energy = 303924.8844 kcal/mol (303860.8290 without restraints) Performing minimization step: 2045. Total energy = 303382.8879 kcal/mol (303318.9951 without restraints) Performing minimization step: 2046. Total energy = 302842.2662 kcal/mol (302778.5354 without restraints) Performing minimization step: 2047. Total energy = 302303.0154 kcal/mol (302239.4463 without restraints) Performing minimization step: 2048. Total energy = 301765.1312 kcal/mol (301701.7231 without restraints) Performing minimization step: 2049. Total energy = 301228.6098 kcal/mol (301165.3623 without restraints) Performing minimization step: 2050. Total energy = 300693.4472 kcal/mol (300630.3598 without restraints) Performing minimization step: 2051. Total energy = 300159.6392 kcal/mol (300096.7116 without restraints) Performing minimization step: 2052. Total energy = 299627.1820 kcal/mol (299564.4135 without restraints) Performing minimization step: 2053. Total energy = 299096.0716 kcal/mol (299033.4618 without restraints) Performing minimization step: 2054. Total energy = 298566.3038 kcal/mol (298503.8523 without restraints) Performing minimization step: 2055. Total energy = 298037.8749 kcal/mol (297975.5812 without restraints) Performing minimization step: 2056. Total energy = 297510.7808 kcal/mol (297448.6445 without restraints) Performing minimization step: 2057. Total energy = 296985.0177 kcal/mol (296923.0382 without restraints) Performing minimization step: 2058. Total energy = 296460.5816 kcal/mol (296398.7584 without restraints) Performing minimization step: 2059. Total energy = 295937.4688 kcal/mol (295875.8016 without restraints) Performing minimization step: 2060. Total energy = 295415.6750 kcal/mol (295354.1633 without restraints) Performing minimization step: 2061. Total energy = 294895.1968 kcal/mol (294833.8402 without restraints) Performing minimization step: 2062. Total energy = 294376.0300 kcal/mol (294314.8280 without restraints) Performing minimization step: 2063. Total energy = 293858.1708 kcal/mol (293797.1228 without restraints) Performing minimization step: 2064. Total energy = 293341.6153 kcal/mol (293280.7210 without restraints) Performing minimization step: 2065. Total energy = 292826.3598 kcal/mol (292765.6187 without restraints) Performing minimization step: 2066. Total energy = 292312.4005 kcal/mol (292251.8122 without restraints) Performing minimization step: 2067. Total energy = 291799.7335 kcal/mol (291739.2975 without restraints) Performing minimization step: 2068. Total energy = 291288.3552 kcal/mol (291228.0711 without restraints) Performing minimization step: 2069. Total energy = 290778.2617 kcal/mol (290718.1290 without restraints) Performing minimization step: 2070. Total energy = 290269.4493 kcal/mol (290209.4676 without restraints) Performing minimization step: 2071. Total energy = 289761.9142 kcal/mol (289702.0831 without restraints) Performing minimization step: 2072. Total energy = 289255.6527 kcal/mol (289195.9717 without restraints) Performing minimization step: 2073. Total energy = 288750.6612 kcal/mol (288691.1298 without restraints) Performing minimization step: 2074. Total energy = 288246.9360 kcal/mol (288187.5539 without restraints) Performing minimization step: 2075. Total energy = 287744.4734 kcal/mol (287685.2401 without restraints) Performing minimization step: 2076. Total energy = 287243.2693 kcal/mol (287184.1844 without restraints) Performing minimization step: 2077. Total energy = 286743.3204 kcal/mol (286684.3834 without restraints) Performing minimization step: 2078. Total energy = 286244.6231 kcal/mol (286185.8337 without restraints) Performing minimization step: 2079. Total energy = 285747.1737 kcal/mol (285688.5313 without restraints) Performing minimization step: 2080. Total energy = 285250.9684 kcal/mol (285192.4726 without restraints) Performing minimization step: 2081. Total energy = 284756.0037 kcal/mol (284697.6541 without restraints) Performing minimization step: 2082. Total energy = 284262.2760 kcal/mol (284204.0722 without restraints) Performing minimization step: 2083. Total energy = 283769.7817 kcal/mol (283711.7233 without restraints) Performing minimization step: 2084. Total energy = 283278.5173 kcal/mol (283220.6039 without restraints) Performing minimization step: 2085. Total energy = 282788.4792 kcal/mol (282730.7103 without restraints) Performing minimization step: 2086. Total energy = 282299.6638 kcal/mol (282242.0390 without restraints) Performing minimization step: 2087. Total energy = 281812.0675 kcal/mol (281754.5864 without restraints) Performing minimization step: 2088. Total energy = 281325.6869 kcal/mol (281268.3491 without restraints) Performing minimization step: 2089. Total energy = 280840.5184 kcal/mol (280783.3235 without restraints) Performing minimization step: 2090. Total energy = 280356.5586 kcal/mol (280299.5061 without restraints) Performing minimization step: 2091. Total energy = 279873.8039 kcal/mol (279816.8934 without restraints) Performing minimization step: 2092. Total energy = 279392.2510 kcal/mol (279335.4821 without restraints) Performing minimization step: 2093. Total energy = 278911.8961 kcal/mol (278855.2684 without restraints) Performing minimization step: 2094. Total energy = 278432.7359 kcal/mol (278376.2491 without restraints) Performing minimization step: 2095. Total energy = 277954.7671 kcal/mol (277898.4208 without restraints) Performing minimization step: 2096. Total energy = 277477.9861 kcal/mol (277421.7797 without restraints) Performing minimization step: 2097. Total energy = 277002.3895 kcal/mol (276946.3227 without restraints) Performing minimization step: 2098. Total energy = 276527.9739 kcal/mol (276472.0463 without restraints) Performing minimization step: 2099. Total energy = 276054.7357 kcal/mol (275998.9470 without restraints) Performing minimization step: 2100. Total energy = 275582.6719 kcal/mol (275527.0215 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2101. Total energy = 275111.7790 kcal/mol (275056.2666 without restraints) Performing minimization step: 2102. Total energy = 274642.0536 kcal/mol (274586.6788 without restraints) Performing minimization step: 2103. Total energy = 274173.4922 kcal/mol (274118.2547 without restraints) Performing minimization step: 2104. Total energy = 273706.0916 kcal/mol (273650.9909 without restraints) Performing minimization step: 2105. Total energy = 273239.8487 kcal/mol (273184.8843 without restraints) Performing minimization step: 2106. Total energy = 272774.7596 kcal/mol (272719.9313 without restraints) Performing minimization step: 2107. Total energy = 272310.8213 kcal/mol (272256.1286 without restraints) Performing minimization step: 2108. Total energy = 271848.0307 kcal/mol (271793.4732 without restraints) Performing minimization step: 2109. Total energy = 271386.3841 kcal/mol (271331.9616 without restraints) Performing minimization step: 2110. Total energy = 270925.8785 kcal/mol (270871.5904 without restraints) Performing minimization step: 2111. Total energy = 270466.5106 kcal/mol (270412.3566 without restraints) Performing minimization step: 2112. Total energy = 270008.2771 kcal/mol (269954.2568 without restraints) Performing minimization step: 2113. Total energy = 269551.1748 kcal/mol (269497.2879 without restraints) Performing minimization step: 2114. Total energy = 269095.2003 kcal/mol (269041.4464 without restraints) Performing minimization step: 2115. Total energy = 268640.3508 kcal/mol (268586.7294 without restraints) Performing minimization step: 2116. Total energy = 268186.6227 kcal/mol (268133.1335 without restraints) Performing minimization step: 2117. Total energy = 267734.0127 kcal/mol (267680.6553 without restraints) Performing minimization step: 2118. Total energy = 267282.5181 kcal/mol (267229.2921 without restraints) Performing minimization step: 2119. Total energy = 266832.1354 kcal/mol (266779.0404 without restraints) Performing minimization step: 2120. Total energy = 266382.8614 kcal/mol (266329.8971 without restraints) Performing minimization step: 2121. Total energy = 265934.6931 kcal/mol (265881.8591 without restraints) Performing minimization step: 2122. Total energy = 265487.6272 kcal/mol (265434.9232 without restraints) Performing minimization step: 2123. Total energy = 265041.6607 kcal/mol (264989.0863 without restraints) Performing minimization step: 2124. Total energy = 264596.7904 kcal/mol (264544.3452 without restraints) Performing minimization step: 2125. Total energy = 264153.0133 kcal/mol (264100.6970 without restraints) Performing minimization step: 2126. Total energy = 263710.3262 kcal/mol (263658.1383 without restraints) Performing minimization step: 2127. Total energy = 263268.7259 kcal/mol (263216.6661 without restraints) Performing minimization step: 2128. Total energy = 262828.2094 kcal/mol (262776.2773 without restraints) Performing minimization step: 2129. Total energy = 262388.7740 kcal/mol (262336.9694 without restraints) Performing minimization step: 2130. Total energy = 261950.4160 kcal/mol (261898.7383 without restraints) Performing minimization step: 2131. Total energy = 261513.1325 kcal/mol (261461.5815 without restraints) Performing minimization step: 2132. Total energy = 261076.9206 kcal/mol (261025.4959 without restraints) Performing minimization step: 2133. Total energy = 260641.7775 kcal/mol (260590.4787 without restraints) Performing minimization step: 2134. Total energy = 260207.6994 kcal/mol (260156.5262 without restraints) Performing minimization step: 2135. Total energy = 259774.6841 kcal/mol (259723.6361 without restraints) Performing minimization step: 2136. Total energy = 259342.7282 kcal/mol (259291.8051 without restraints) Performing minimization step: 2137. Total energy = 258911.8291 kcal/mol (258861.0305 without restraints) Performing minimization step: 2138. Total energy = 258481.9834 kcal/mol (258431.3091 without restraints) Performing minimization step: 2139. Total energy = 258053.1884 kcal/mol (258002.6379 without restraints) Performing minimization step: 2140. Total energy = 257625.4407 kcal/mol (257575.0137 without restraints) Performing minimization step: 2141. Total energy = 257198.7377 kcal/mol (257148.4337 without restraints) Performing minimization step: 2142. Total energy = 256773.0764 kcal/mol (256722.8954 without restraints) Performing minimization step: 2143. Total energy = 256348.4541 kcal/mol (256298.3954 without restraints) Performing minimization step: 2144. Total energy = 255924.8673 kcal/mol (255874.9307 without restraints) Performing minimization step: 2145. Total energy = 255502.3134 kcal/mol (255452.4985 without restraints) Performing minimization step: 2146. Total energy = 255080.7897 kcal/mol (255031.0962 without restraints) Performing minimization step: 2147. Total energy = 254660.2928 kcal/mol (254610.7204 without restraints) Performing minimization step: 2148. Total energy = 254240.8202 kcal/mol (254191.3685 without restraints) Performing minimization step: 2149. Total energy = 253822.3690 kcal/mol (253773.0377 without restraints) Performing minimization step: 2150. Total energy = 253404.9361 kcal/mol (253355.7249 without restraints) Performing minimization step: 2151. Total energy = 252988.5189 kcal/mol (252939.4274 without restraints) Performing minimization step: 2152. Total energy = 252573.1148 kcal/mol (252524.1427 without restraints) Performing minimization step: 2153. Total energy = 252158.7205 kcal/mol (252109.8674 without restraints) Performing minimization step: 2154. Total energy = 251745.3332 kcal/mol (251696.5988 without restraints) Performing minimization step: 2155. Total energy = 251332.9501 kcal/mol (251284.3341 without restraints) Performing minimization step: 2156. Total energy = 250921.5684 kcal/mol (250873.0704 without restraints) Performing minimization step: 2157. Total energy = 250511.1854 kcal/mol (250462.8050 without restraints) Performing minimization step: 2158. Total energy = 250101.7982 kcal/mol (250053.5352 without restraints) Performing minimization step: 2159. Total energy = 249693.4037 kcal/mol (249645.2578 without restraints) Performing minimization step: 2160. Total energy = 249285.9998 kcal/mol (249237.9706 without restraints) Performing minimization step: 2161. Total energy = 248879.5835 kcal/mol (248831.6707 without restraints) Performing minimization step: 2162. Total energy = 248474.1518 kcal/mol (248426.3550 without restraints) Performing minimization step: 2163. Total energy = 248069.7021 kcal/mol (248022.0211 without restraints) Performing minimization step: 2164. Total energy = 247666.2318 kcal/mol (247618.6663 without restraints) Performing minimization step: 2165. Total energy = 247263.7382 kcal/mol (247216.2878 without restraints) Performing minimization step: 2166. Total energy = 246862.2183 kcal/mol (246814.8827 without restraints) Performing minimization step: 2167. Total energy = 246461.6695 kcal/mol (246414.4483 without restraints) Performing minimization step: 2168. Total energy = 246062.0890 kcal/mol (246014.9820 without restraints) Performing minimization step: 2169. Total energy = 245663.4743 kcal/mol (245616.4811 without restraints) Performing minimization step: 2170. Total energy = 245265.8227 kcal/mol (245218.9430 without restraints) Performing minimization step: 2171. Total energy = 244869.1316 kcal/mol (244822.3652 without restraints) Performing minimization step: 2172. Total energy = 244473.3980 kcal/mol (244426.7444 without restraints) Performing minimization step: 2173. Total energy = 244078.6194 kcal/mol (244032.0783 without restraints) Performing minimization step: 2174. Total energy = 243684.7933 kcal/mol (243638.3645 without restraints) Performing minimization step: 2175. Total energy = 243291.9167 kcal/mol (243245.5998 without restraints) Performing minimization step: 2176. Total energy = 242899.9871 kcal/mol (242853.7819 without restraints) Performing minimization step: 2177. Total energy = 242509.0021 kcal/mol (242462.9082 without restraints) Performing minimization step: 2178. Total energy = 242118.9588 kcal/mol (242072.9759 without restraints) Performing minimization step: 2179. Total energy = 241729.8548 kcal/mol (241683.9826 without restraints) Performing minimization step: 2180. Total energy = 241341.6871 kcal/mol (241295.9254 without restraints) Performing minimization step: 2181. Total energy = 240954.4540 kcal/mol (240908.8023 without restraints) Performing minimization step: 2182. Total energy = 240568.1520 kcal/mol (240522.6102 without restraints) Performing minimization step: 2183. Total energy = 240182.7789 kcal/mol (240137.3465 without restraints) Performing minimization step: 2184. Total energy = 239798.3323 kcal/mol (239753.0091 without restraints) Performing minimization step: 2185. Total energy = 239414.8094 kcal/mol (239369.5951 without restraints) Performing minimization step: 2186. Total energy = 239032.2078 kcal/mol (238987.1020 without restraints) Performing minimization step: 2187. Total energy = 238650.5245 kcal/mol (238605.5270 without restraints) Performing minimization step: 2188. Total energy = 238269.7573 kcal/mol (238224.8679 without restraints) Performing minimization step: 2189. Total energy = 237889.9040 kcal/mol (237845.1222 without restraints) Performing minimization step: 2190. Total energy = 237510.9615 kcal/mol (237466.2870 without restraints) Performing minimization step: 2191. Total energy = 237132.9274 kcal/mol (237088.3601 without restraints) Performing minimization step: 2192. Total energy = 236755.7995 kcal/mol (236711.3389 without restraints) Performing minimization step: 2193. Total energy = 236379.5751 kcal/mol (236335.2211 without restraints) Performing minimization step: 2194. Total energy = 236004.2518 kcal/mol (235960.0040 without restraints) Performing minimization step: 2195. Total energy = 235629.8270 kcal/mol (235585.6851 without restraints) Performing minimization step: 2196. Total energy = 235256.2983 kcal/mol (235212.2620 without restraints) Performing minimization step: 2197. Total energy = 234883.6632 kcal/mol (234839.7322 without restraints) Performing minimization step: 2198. Total energy = 234511.9193 kcal/mol (234468.0933 without restraints) Performing minimization step: 2199. Total energy = 234141.0641 kcal/mol (234097.3430 without restraints) Performing minimization step: 2200. Total energy = 233771.0953 kcal/mol (233727.4786 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2201. Total energy = 233402.0103 kcal/mol (233358.4978 without restraints) Performing minimization step: 2202. Total energy = 233033.8066 kcal/mol (232990.3980 without restraints) Performing minimization step: 2203. Total energy = 232666.4820 kcal/mol (232623.1770 without restraints) Performing minimization step: 2204. Total energy = 232300.0340 kcal/mol (232256.8323 without restraints) Performing minimization step: 2205. Total energy = 231934.4602 kcal/mol (231891.3616 without restraints) Performing minimization step: 2206. Total energy = 231569.7582 kcal/mol (231526.7623 without restraints) Performing minimization step: 2207. Total energy = 231205.9257 kcal/mol (231163.0325 without restraints) Performing minimization step: 2208. Total energy = 230842.9603 kcal/mol (230800.1691 without restraints) Performing minimization step: 2209. Total energy = 230480.8594 kcal/mol (230438.1701 without restraints) Performing minimization step: 2210. Total energy = 230119.6208 kcal/mol (230077.0332 without restraints) Performing minimization step: 2211. Total energy = 229759.2421 kcal/mol (229716.7559 without restraints) Performing minimization step: 2212. Total energy = 229399.7211 kcal/mol (229357.3359 without restraints) Performing minimization step: 2213. Total energy = 229041.0553 kcal/mol (228998.7709 without restraints) Performing minimization step: 2214. Total energy = 228683.2426 kcal/mol (228641.0588 without restraints) Performing minimization step: 2215. Total energy = 228326.2803 kcal/mol (228284.1967 without restraints) Performing minimization step: 2216. Total energy = 227970.1663 kcal/mol (227928.1826 without restraints) Performing minimization step: 2217. Total energy = 227614.8981 kcal/mol (227573.0143 without restraints) Performing minimization step: 2218. Total energy = 227260.4737 kcal/mol (227218.6892 without restraints) Performing minimization step: 2219. Total energy = 226906.8906 kcal/mol (226865.2053 without restraints) Performing minimization step: 2220. Total energy = 226554.1465 kcal/mol (226512.5602 without restraints) Performing minimization step: 2221. Total energy = 226202.2395 kcal/mol (226160.7517 without restraints) Performing minimization step: 2222. Total energy = 225851.1667 kcal/mol (225809.7773 without restraints) Performing minimization step: 2223. Total energy = 225500.9261 kcal/mol (225459.6348 without restraints) Performing minimization step: 2224. Total energy = 225151.5155 kcal/mol (225110.3221 without restraints) Performing minimization step: 2225. Total energy = 224802.9326 kcal/mol (224761.8368 without restraints) Performing minimization step: 2226. Total energy = 224455.1752 kcal/mol (224414.1766 without restraints) Performing minimization step: 2227. Total energy = 224108.2410 kcal/mol (224067.3395 without restraints) Performing minimization step: 2228. Total energy = 223762.1278 kcal/mol (223721.3231 without restraints) Performing minimization step: 2229. Total energy = 223416.8336 kcal/mol (223376.1253 without restraints) Performing minimization step: 2230. Total energy = 223072.3558 kcal/mol (223031.7438 without restraints) Performing minimization step: 2231. Total energy = 222728.6922 kcal/mol (222688.1762 without restraints) Performing minimization step: 2232. Total energy = 222385.8407 kcal/mol (222345.4204 without restraints) Performing minimization step: 2233. Total energy = 222043.7991 kcal/mol (222003.4742 without restraints) Performing minimization step: 2234. Total energy = 221702.5652 kcal/mol (221662.3356 without restraints) Performing minimization step: 2235. Total energy = 221362.1368 kcal/mol (221322.0021 without restraints) Performing minimization step: 2236. Total energy = 221022.5117 kcal/mol (220982.4718 without restraints) Performing minimization step: 2237. Total energy = 220683.6879 kcal/mol (220643.7424 without restraints) Performing minimization step: 2238. Total energy = 220345.6632 kcal/mol (220305.8120 without restraints) Performing minimization step: 2239. Total energy = 220008.4353 kcal/mol (219968.6779 without restraints) Performing minimization step: 2240. Total energy = 219672.0020 kcal/mol (219632.3382 without restraints) Performing minimization step: 2241. Total energy = 219336.3612 kcal/mol (219296.7909 without restraints) Performing minimization step: 2242. Total energy = 219001.5109 kcal/mol (218962.0337 without restraints) Performing minimization step: 2243. Total energy = 218667.4490 kcal/mol (218628.0648 without restraints) Performing minimization step: 2244. Total energy = 218334.1731 kcal/mol (218294.8815 without restraints) Performing minimization step: 2245. Total energy = 218001.6812 kcal/mol (217962.4820 without restraints) Performing minimization step: 2246. Total energy = 217669.9715 kcal/mol (217630.8645 without restraints) Performing minimization step: 2247. Total energy = 217339.0411 kcal/mol (217300.0260 without restraints) Performing minimization step: 2248. Total energy = 217008.8886 kcal/mol (216969.9652 without restraints) Performing minimization step: 2249. Total energy = 216679.5117 kcal/mol (216640.6798 without restraints) Performing minimization step: 2250. Total energy = 216350.9084 kcal/mol (216312.1676 without restraints) Performing minimization step: 2251. Total energy = 216023.0765 kcal/mol (215984.4267 without restraints) Performing minimization step: 2252. Total energy = 215696.0141 kcal/mol (215657.4549 without restraints) Performing minimization step: 2253. Total energy = 215369.7190 kcal/mol (215331.2503 without restraints) Performing minimization step: 2254. Total energy = 215044.1891 kcal/mol (215005.8105 without restraints) Performing minimization step: 2255. Total energy = 214719.4223 kcal/mol (214681.1338 without restraints) Performing minimization step: 2256. Total energy = 214395.4165 kcal/mol (214357.2177 without restraints) Performing minimization step: 2257. Total energy = 214072.1700 kcal/mol (214034.0607 without restraints) Performing minimization step: 2258. Total energy = 213749.6806 kcal/mol (213711.6605 without restraints) Performing minimization step: 2259. Total energy = 213427.9462 kcal/mol (213390.0150 without restraints) Performing minimization step: 2260. Total energy = 213106.9647 kcal/mol (213069.1224 without restraints) Performing minimization step: 2261. Total energy = 212786.7343 kcal/mol (212748.9804 without restraints) Performing minimization step: 2262. Total energy = 212467.2526 kcal/mol (212429.5870 without restraints) Performing minimization step: 2263. Total energy = 212148.5180 kcal/mol (212110.9406 without restraints) Performing minimization step: 2264. Total energy = 211830.5285 kcal/mol (211793.0388 without restraints) Performing minimization step: 2265. Total energy = 211513.2819 kcal/mol (211475.8797 without restraints) Performing minimization step: 2266. Total energy = 211196.7762 kcal/mol (211159.4614 without restraints) Performing minimization step: 2267. Total energy = 210881.0096 kcal/mol (210843.7820 without restraints) Performing minimization step: 2268. Total energy = 210565.9801 kcal/mol (210528.8393 without restraints) Performing minimization step: 2269. Total energy = 210251.6856 kcal/mol (210214.6315 without restraints) Performing minimization step: 2270. Total energy = 209938.1242 kcal/mol (209901.1565 without restraints) Performing minimization step: 2271. Total energy = 209625.2939 kcal/mol (209588.4124 without restraints) Performing minimization step: 2272. Total energy = 209313.1929 kcal/mol (209276.3973 without restraints) Performing minimization step: 2273. Total energy = 209001.8192 kcal/mol (208965.1094 without restraints) Performing minimization step: 2274. Total energy = 208691.1707 kcal/mol (208654.5464 without restraints) Performing minimization step: 2275. Total energy = 208381.2456 kcal/mol (208344.7065 without restraints) Performing minimization step: 2276. Total energy = 208072.0419 kcal/mol (208035.5879 without restraints) Performing minimization step: 2277. Total energy = 207763.5577 kcal/mol (207727.1885 without restraints) Performing minimization step: 2278. Total energy = 207455.7909 kcal/mol (207419.5063 without restraints) Performing minimization step: 2279. Total energy = 207148.7400 kcal/mol (207112.5397 without restraints) Performing minimization step: 2280. Total energy = 206842.4029 kcal/mol (206806.2868 without restraints) Performing minimization step: 2281. Total energy = 206536.7777 kcal/mol (206500.7455 without restraints) Performing minimization step: 2282. Total energy = 206231.8625 kcal/mol (206195.9139 without restraints) Performing minimization step: 2283. Total energy = 205927.6554 kcal/mol (205891.7903 without restraints) Performing minimization step: 2284. Total energy = 205624.1545 kcal/mol (205588.3727 without restraints) Performing minimization step: 2285. Total energy = 205321.3579 kcal/mol (205285.6592 without restraints) Performing minimization step: 2286. Total energy = 205019.2641 kcal/mol (204983.6481 without restraints) Performing minimization step: 2287. Total energy = 204717.8708 kcal/mol (204682.3375 without restraints) Performing minimization step: 2288. Total energy = 204417.1762 kcal/mol (204381.7252 without restraints) Performing minimization step: 2289. Total energy = 204117.1787 kcal/mol (204081.8098 without restraints) Performing minimization step: 2290. Total energy = 203817.8762 kcal/mol (203782.5893 without restraints) Performing minimization step: 2291. Total energy = 203519.2667 kcal/mol (203484.0615 without restraints) Performing minimization step: 2292. Total energy = 203221.3484 kcal/mol (203186.2247 without restraints) Performing minimization step: 2293. Total energy = 202924.1196 kcal/mol (202889.0771 without restraints) Performing minimization step: 2294. Total energy = 202627.5787 kcal/mol (202592.6173 without restraints) Performing minimization step: 2295. Total energy = 202331.7240 kcal/mol (202296.8435 without restraints) Performing minimization step: 2296. Total energy = 202036.5532 kcal/mol (202001.7533 without restraints) Performing minimization step: 2297. Total energy = 201742.0648 kcal/mol (201707.3454 without restraints) Performing minimization step: 2298. Total energy = 201448.2567 kcal/mol (201413.6174 without restraints) Performing minimization step: 2299. Total energy = 201155.1272 kcal/mol (201120.5680 without restraints) Performing minimization step: 2300. Total energy = 200862.6748 kcal/mol (200828.1953 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2301. Total energy = 200570.8973 kcal/mol (200536.4974 without restraints) Performing minimization step: 2302. Total energy = 200279.7931 kcal/mol (200245.4726 without restraints) Performing minimization step: 2303. Total energy = 199989.3604 kcal/mol (199955.1191 without restraints) Performing minimization step: 2304. Total energy = 199699.5977 kcal/mol (199665.4353 without restraints) Performing minimization step: 2305. Total energy = 199410.5028 kcal/mol (199376.4191 without restraints) Performing minimization step: 2306. Total energy = 199122.0741 kcal/mol (199088.0690 without restraints) Performing minimization step: 2307. Total energy = 198834.3099 kcal/mol (198800.3831 without restraints) Performing minimization step: 2308. Total energy = 198547.2081 kcal/mol (198513.3595 without restraints) Performing minimization step: 2309. Total energy = 198260.7676 kcal/mol (198226.9968 without restraints) Performing minimization step: 2310. Total energy = 197974.9863 kcal/mol (197941.2933 without restraints) Performing minimization step: 2311. Total energy = 197689.8625 kcal/mol (197656.2470 without restraints) Performing minimization step: 2312. Total energy = 197405.3945 kcal/mol (197371.8563 without restraints) Performing minimization step: 2313. Total energy = 197121.5807 kcal/mol (197088.1196 without restraints) Performing minimization step: 2314. Total energy = 196838.4192 kcal/mol (196805.0349 without restraints) Performing minimization step: 2315. Total energy = 196555.9083 kcal/mol (196522.6007 without restraints) Performing minimization step: 2316. Total energy = 196274.0462 kcal/mol (196240.8151 without restraints) Performing minimization step: 2317. Total energy = 195992.8312 kcal/mol (195959.6765 without restraints) Performing minimization step: 2318. Total energy = 195712.2616 kcal/mol (195679.1829 without restraints) Performing minimization step: 2319. Total energy = 195432.3362 kcal/mol (195399.3334 without restraints) Performing minimization step: 2320. Total energy = 195153.0527 kcal/mol (195120.1256 without restraints) Performing minimization step: 2321. Total energy = 194874.4097 kcal/mol (194841.5582 without restraints) Performing minimization step: 2322. Total energy = 194596.4054 kcal/mol (194563.6291 without restraints) Performing minimization step: 2323. Total energy = 194319.0382 kcal/mol (194286.3369 without restraints) Performing minimization step: 2324. Total energy = 194042.3063 kcal/mol (194009.6800 without restraints) Performing minimization step: 2325. Total energy = 193766.2082 kcal/mol (193733.6566 without restraints) Performing minimization step: 2326. Total energy = 193490.7421 kcal/mol (193458.2650 without restraints) Performing minimization step: 2327. Total energy = 193215.9065 kcal/mol (193183.5037 without restraints) Performing minimization step: 2328. Total energy = 192941.6997 kcal/mol (192909.3710 without restraints) Performing minimization step: 2329. Total energy = 192668.1200 kcal/mol (192635.8652 without restraints) Performing minimization step: 2330. Total energy = 192395.1657 kcal/mol (192362.9847 without restraints) Performing minimization step: 2331. Total energy = 192122.8353 kcal/mol (192090.7278 without restraints) Performing minimization step: 2332. Total energy = 191851.1271 kcal/mol (191819.0928 without restraints) Performing minimization step: 2333. Total energy = 191580.0394 kcal/mol (191548.0784 without restraints) Performing minimization step: 2334. Total energy = 191309.5708 kcal/mol (191277.6828 without restraints) Performing minimization step: 2335. Total energy = 191039.7196 kcal/mol (191007.9043 without restraints) Performing minimization step: 2336. Total energy = 190770.4841 kcal/mol (190738.7414 without restraints) Performing minimization step: 2337. Total energy = 190501.8628 kcal/mol (190470.1925 without restraints) Performing minimization step: 2338. Total energy = 190233.8541 kcal/mol (190202.2561 without restraints) Performing minimization step: 2339. Total energy = 189966.4563 kcal/mol (189934.9302 without restraints) Performing minimization step: 2340. Total energy = 189699.6678 kcal/mol (189668.2137 without restraints) Performing minimization step: 2341. Total energy = 189433.4872 kcal/mol (189402.1046 without restraints) Performing minimization step: 2342. Total energy = 189167.9126 kcal/mol (189136.6015 without restraints) Performing minimization step: 2343. Total energy = 188902.9426 kcal/mol (188871.7028 without restraints) Performing minimization step: 2344. Total energy = 188638.5757 kcal/mol (188607.4069 without restraints) Performing minimization step: 2345. Total energy = 188374.8102 kcal/mol (188343.7123 without restraints) Performing minimization step: 2346. Total energy = 188111.6446 kcal/mol (188080.6174 without restraints) Performing minimization step: 2347. Total energy = 187849.0777 kcal/mol (187818.1211 without restraints) Performing minimization step: 2348. Total energy = 187587.1072 kcal/mol (187556.2210 without restraints) Performing minimization step: 2349. Total energy = 187325.7319 kcal/mol (187294.9158 without restraints) Performing minimization step: 2350. Total energy = 187064.9503 kcal/mol (187034.2042 without restraints) Performing minimization step: 2351. Total energy = 186804.7608 kcal/mol (186774.0845 without restraints) Performing minimization step: 2352. Total energy = 186545.1620 kcal/mol (186514.5553 without restraints) Performing minimization step: 2353. Total energy = 186286.1522 kcal/mol (186255.6149 without restraints) Performing minimization step: 2354. Total energy = 186027.7299 kcal/mol (185997.2619 without restraints) Performing minimization step: 2355. Total energy = 185769.8936 kcal/mol (185739.4947 without restraints) Performing minimization step: 2356. Total energy = 185512.6418 kcal/mol (185482.3118 without restraints) Performing minimization step: 2357. Total energy = 185255.9728 kcal/mol (185225.7115 without restraints) Performing minimization step: 2358. Total energy = 184999.8854 kcal/mol (184969.6926 without restraints) Performing minimization step: 2359. Total energy = 184744.3780 kcal/mol (184714.2536 without restraints) Performing minimization step: 2360. Total energy = 184489.4492 kcal/mol (184459.3930 without restraints) Performing minimization step: 2361. Total energy = 184235.0972 kcal/mol (184205.1090 without restraints) Performing minimization step: 2362. Total energy = 183981.3207 kcal/mol (183951.4004 without restraints) Performing minimization step: 2363. Total energy = 183728.1182 kcal/mol (183698.2655 without restraints) Performing minimization step: 2364. Total energy = 183475.4881 kcal/mol (183445.7029 without restraints) Performing minimization step: 2365. Total energy = 183223.4293 kcal/mol (183193.7114 without restraints) Performing minimization step: 2366. Total energy = 182971.9397 kcal/mol (182942.2889 without restraints) Performing minimization step: 2367. Total energy = 182721.0182 kcal/mol (182691.4344 without restraints) Performing minimization step: 2368. Total energy = 182470.6633 kcal/mol (182441.1463 without restraints) Performing minimization step: 2369. Total energy = 182220.8735 kcal/mol (182191.4231 without restraints) Performing minimization step: 2370. Total energy = 181971.6474 kcal/mol (181942.2635 without restraints) Performing minimization step: 2371. Total energy = 181722.9836 kcal/mol (181693.6661 without restraints) Performing minimization step: 2372. Total energy = 181474.8806 kcal/mol (181445.6291 without restraints) Performing minimization step: 2373. Total energy = 181227.3368 kcal/mol (181198.1512 without restraints) Performing minimization step: 2374. Total energy = 180980.3509 kcal/mol (180951.2310 without restraints) Performing minimization step: 2375. Total energy = 180733.9216 kcal/mol (180704.8673 without restraints) Performing minimization step: 2376. Total energy = 180488.0471 kcal/mol (180459.0582 without restraints) Performing minimization step: 2377. Total energy = 180242.7261 kcal/mol (180213.8025 without restraints) Performing minimization step: 2378. Total energy = 179997.9573 kcal/mol (179969.0988 without restraints) Performing minimization step: 2379. Total energy = 179753.7392 kcal/mol (179724.9456 without restraints) Performing minimization step: 2380. Total energy = 179510.0708 kcal/mol (179481.3420 without restraints) Performing minimization step: 2381. Total energy = 179266.9500 kcal/mol (179238.2857 without restraints) Performing minimization step: 2382. Total energy = 179024.3755 kcal/mol (178995.7757 without restraints) Performing minimization step: 2383. Total energy = 178782.3462 kcal/mol (178753.8106 without restraints) Performing minimization step: 2384. Total energy = 178540.8605 kcal/mol (178512.3890 without restraints) Performing minimization step: 2385. Total energy = 178299.9171 kcal/mol (178271.5095 without restraints) Performing minimization step: 2386. Total energy = 178059.5146 kcal/mol (178031.1709 without restraints) Performing minimization step: 2387. Total energy = 177819.6517 kcal/mol (177791.3715 without restraints) Performing minimization step: 2388. Total energy = 177580.3267 kcal/mol (177552.1100 without restraints) Performing minimization step: 2389. Total energy = 177341.5385 kcal/mol (177313.3850 without restraints) Performing minimization step: 2390. Total energy = 177103.2856 kcal/mol (177075.1952 without restraints) Performing minimization step: 2391. Total energy = 176865.5667 kcal/mol (176837.5393 without restraints) Performing minimization step: 2392. Total energy = 176628.3804 kcal/mol (176600.4158 without restraints) Performing minimization step: 2393. Total energy = 176391.7254 kcal/mol (176363.8233 without restraints) Performing minimization step: 2394. Total energy = 176155.6002 kcal/mol (176127.7606 without restraints) Performing minimization step: 2395. Total energy = 175920.0035 kcal/mol (175892.2263 without restraints) Performing minimization step: 2396. Total energy = 175684.9340 kcal/mol (175657.2189 without restraints) Performing minimization step: 2397. Total energy = 175450.3906 kcal/mol (175422.7374 without restraints) Performing minimization step: 2398. Total energy = 175216.3713 kcal/mol (175188.7800 without restraints) Performing minimization step: 2399. Total energy = 174982.8752 kcal/mol (174955.3455 without restraints) Performing minimization step: 2400. Total energy = 174749.9008 kcal/mol (174722.4327 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2401. Total energy = 174517.4469 kcal/mol (174490.0401 without restraints) Performing minimization step: 2402. Total energy = 174285.5119 kcal/mol (174258.1663 without restraints) Performing minimization step: 2403. Total energy = 174054.0947 kcal/mol (174026.8102 without restraints) Performing minimization step: 2404. Total energy = 173823.1942 kcal/mol (173795.9706 without restraints) Performing minimization step: 2405. Total energy = 173592.8089 kcal/mol (173565.6459 without restraints) Performing minimization step: 2406. Total energy = 173362.9376 kcal/mol (173335.8352 without restraints) Performing minimization step: 2407. Total energy = 173133.5785 kcal/mol (173106.5366 without restraints) Performing minimization step: 2408. Total energy = 172904.7307 kcal/mol (172877.7490 without restraints) Performing minimization step: 2409. Total energy = 172676.3928 kcal/mol (172649.4712 without restraints) Performing minimization step: 2410. Total energy = 172448.5634 kcal/mol (172421.7018 without restraints) Performing minimization step: 2411. Total energy = 172221.2415 kcal/mol (172194.4396 without restraints) Performing minimization step: 2412. Total energy = 171994.4254 kcal/mol (171967.6832 without restraints) Performing minimization step: 2413. Total energy = 171768.1141 kcal/mol (171741.4314 without restraints) Performing minimization step: 2414. Total energy = 171542.3062 kcal/mol (171515.6829 without restraints) Performing minimization step: 2415. Total energy = 171317.0005 kcal/mol (171290.4364 without restraints) Performing minimization step: 2416. Total energy = 171092.1957 kcal/mol (171065.6906 without restraints) Performing minimization step: 2417. Total energy = 170867.8906 kcal/mol (170841.4444 without restraints) Performing minimization step: 2418. Total energy = 170644.0837 kcal/mol (170617.6963 without restraints) Performing minimization step: 2419. Total energy = 170420.7739 kcal/mol (170394.4450 without restraints) Performing minimization step: 2420. Total energy = 170197.9598 kcal/mol (170171.6894 without restraints) Performing minimization step: 2421. Total energy = 169975.6403 kcal/mol (169949.4282 without restraints) Performing minimization step: 2422. Total energy = 169753.8142 kcal/mol (169727.6602 without restraints) Performing minimization step: 2423. Total energy = 169532.4801 kcal/mol (169506.3842 without restraints) Performing minimization step: 2424. Total energy = 169311.6366 kcal/mol (169285.5985 without restraints) Performing minimization step: 2425. Total energy = 169091.2827 kcal/mol (169065.3023 without restraints) Performing minimization step: 2426. Total energy = 168871.4170 kcal/mol (168845.4942 without restraints) Performing minimization step: 2427. Total energy = 168652.0384 kcal/mol (168626.1729 without restraints) Performing minimization step: 2428. Total energy = 168433.1457 kcal/mol (168407.3376 without restraints) Performing minimization step: 2429. Total energy = 168214.7374 kcal/mol (168188.9864 without restraints) Performing minimization step: 2430. Total energy = 167996.8125 kcal/mol (167971.1184 without restraints) Performing minimization step: 2431. Total energy = 167779.3695 kcal/mol (167753.7322 without restraints) Performing minimization step: 2432. Total energy = 167562.4075 kcal/mol (167536.8270 without restraints) Performing minimization step: 2433. Total energy = 167345.9252 kcal/mol (167320.4012 without restraints) Performing minimization step: 2434. Total energy = 167129.9214 kcal/mol (167104.4538 without restraints) Performing minimization step: 2435. Total energy = 166914.3949 kcal/mol (166888.9835 without restraints) Performing minimization step: 2436. Total energy = 166699.3443 kcal/mol (166673.9891 without restraints) Performing minimization step: 2437. Total energy = 166484.7686 kcal/mol (166459.4693 without restraints) Performing minimization step: 2438. Total energy = 166270.6665 kcal/mol (166245.4230 without restraints) Performing minimization step: 2439. Total energy = 166057.0366 kcal/mol (166031.8488 without restraints) Performing minimization step: 2440. Total energy = 165843.8781 kcal/mol (165818.7459 without restraints) Performing minimization step: 2441. Total energy = 165631.1897 kcal/mol (165606.1130 without restraints) Performing minimization step: 2442. Total energy = 165418.9702 kcal/mol (165393.9487 without restraints) Performing minimization step: 2443. Total energy = 165207.2181 kcal/mol (165182.2517 without restraints) Performing minimization step: 2444. Total energy = 164995.9324 kcal/mol (164971.0211 without restraints) Performing minimization step: 2445. Total energy = 164785.1123 kcal/mol (164760.2558 without restraints) Performing minimization step: 2446. Total energy = 164574.7564 kcal/mol (164549.9546 without restraints) Performing minimization step: 2447. Total energy = 164364.8633 kcal/mol (164340.1161 without restraints) Performing minimization step: 2448. Total energy = 164155.4321 kcal/mol (164130.7393 without restraints) Performing minimization step: 2449. Total energy = 163946.4616 kcal/mol (163921.8232 without restraints) Performing minimization step: 2450. Total energy = 163737.9505 kcal/mol (163713.3662 without restraints) Performing minimization step: 2451. Total energy = 163529.8977 kcal/mol (163505.3674 without restraints) Performing minimization step: 2452. Total energy = 163322.3017 kcal/mol (163297.8253 without restraints) Performing minimization step: 2453. Total energy = 163115.1620 kcal/mol (163090.7394 without restraints) Performing minimization step: 2454. Total energy = 162908.4771 kcal/mol (162884.1081 without restraints) Performing minimization step: 2455. Total energy = 162702.2459 kcal/mol (162677.9304 without restraints) Performing minimization step: 2456. Total energy = 162496.4675 kcal/mol (162472.2053 without restraints) Performing minimization step: 2457. Total energy = 162291.1403 kcal/mol (162266.9313 without restraints) Performing minimization step: 2458. Total energy = 162086.2633 kcal/mol (162062.1074 without restraints) Performing minimization step: 2459. Total energy = 161881.8355 kcal/mol (161857.7326 without restraints) Performing minimization step: 2460. Total energy = 161677.8557 kcal/mol (161653.8056 without restraints) Performing minimization step: 2461. Total energy = 161474.3228 kcal/mol (161450.3253 without restraints) Performing minimization step: 2462. Total energy = 161271.2357 kcal/mol (161247.2909 without restraints) Performing minimization step: 2463. Total energy = 161068.5933 kcal/mol (161044.7008 without restraints) Performing minimization step: 2464. Total energy = 160866.3941 kcal/mol (160842.5539 without restraints) Performing minimization step: 2465. Total energy = 160664.6375 kcal/mol (160640.8495 without restraints) Performing minimization step: 2466. Total energy = 160463.3224 kcal/mol (160439.5863 without restraints) Performing minimization step: 2467. Total energy = 160262.4473 kcal/mol (160238.7631 without restraints) Performing minimization step: 2468. Total energy = 160062.0112 kcal/mol (160038.3788 without restraints) Performing minimization step: 2469. Total energy = 159862.0132 kcal/mol (159838.4324 without restraints) Performing minimization step: 2470. Total energy = 159662.4516 kcal/mol (159638.9224 without restraints) Performing minimization step: 2471. Total energy = 159463.3263 kcal/mol (159439.8484 without restraints) Performing minimization step: 2472. Total energy = 159264.6357 kcal/mol (159241.2091 without restraints) Performing minimization step: 2473. Total energy = 159066.3787 kcal/mol (159043.0032 without restraints) Performing minimization step: 2474. Total energy = 158868.5541 kcal/mol (158845.2296 without restraints) Performing minimization step: 2475. Total energy = 158671.1609 kcal/mol (158647.8872 without restraints) Performing minimization step: 2476. Total energy = 158474.1981 kcal/mol (158450.9751 without restraints) Performing minimization step: 2477. Total energy = 158277.6645 kcal/mol (158254.4922 without restraints) Performing minimization step: 2478. Total energy = 158081.5594 kcal/mol (158058.4375 without restraints) Performing minimization step: 2479. Total energy = 157885.8811 kcal/mol (157862.8096 without restraints) Performing minimization step: 2480. Total energy = 157690.6289 kcal/mol (157667.6076 without restraints) Performing minimization step: 2481. Total energy = 157495.8017 kcal/mol (157472.8305 without restraints) Performing minimization step: 2482. Total energy = 157301.3983 kcal/mol (157278.4771 without restraints) Performing minimization step: 2483. Total energy = 157107.4181 kcal/mol (157084.5467 without restraints) Performing minimization step: 2484. Total energy = 156913.8595 kcal/mol (156891.0380 without restraints) Performing minimization step: 2485. Total energy = 156720.7217 kcal/mol (156697.9497 without restraints) Performing minimization step: 2486. Total energy = 156528.0035 kcal/mol (156505.2810 without restraints) Performing minimization step: 2487. Total energy = 156335.7039 kcal/mol (156313.0307 without restraints) Performing minimization step: 2488. Total energy = 156143.8220 kcal/mol (156121.1982 without restraints) Performing minimization step: 2489. Total energy = 155952.3567 kcal/mol (155929.7818 without restraints) Performing minimization step: 2490. Total energy = 155761.3068 kcal/mol (155738.7809 without restraints) Performing minimization step: 2491. Total energy = 155570.6714 kcal/mol (155548.1943 without restraints) Performing minimization step: 2492. Total energy = 155380.4494 kcal/mol (155358.0211 without restraints) Performing minimization step: 2493. Total energy = 155190.6397 kcal/mol (155168.2599 without restraints) Performing minimization step: 2494. Total energy = 155001.2414 kcal/mol (154978.9102 without restraints) Performing minimization step: 2495. Total energy = 154812.2536 kcal/mol (154789.9708 without restraints) Performing minimization step: 2496. Total energy = 154623.6750 kcal/mol (154601.4405 without restraints) Performing minimization step: 2497. Total energy = 154435.5049 kcal/mol (154413.3184 without restraints) Performing minimization step: 2498. Total energy = 154247.7419 kcal/mol (154225.6035 without restraints) Performing minimization step: 2499. Total energy = 154060.3853 kcal/mol (154038.2948 without restraints) Performing minimization step: 2500. Total energy = 153873.4339 kcal/mol (153851.3911 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2501. Total energy = 153686.8870 kcal/mol (153664.8919 without restraints) Performing minimization step: 2502. Total energy = 153500.7433 kcal/mol (153478.7958 without restraints) Performing minimization step: 2503. Total energy = 153315.0018 kcal/mol (153293.1018 without restraints) Performing minimization step: 2504. Total energy = 153129.6617 kcal/mol (153107.8089 without restraints) Performing minimization step: 2505. Total energy = 152944.7216 kcal/mol (152922.9159 without restraints) Performing minimization step: 2506. Total energy = 152760.1809 kcal/mol (152738.4223 without restraints) Performing minimization step: 2507. Total energy = 152576.0385 kcal/mol (152554.3268 without restraints) Performing minimization step: 2508. Total energy = 152392.2931 kcal/mol (152370.6283 without restraints) Performing minimization step: 2509. Total energy = 152208.9440 kcal/mol (152187.3259 without restraints) Performing minimization step: 2510. Total energy = 152025.9902 kcal/mol (152004.4187 without restraints) Performing minimization step: 2511. Total energy = 151843.4307 kcal/mol (151821.9057 without restraints) Performing minimization step: 2512. Total energy = 151661.2646 kcal/mol (151639.7861 without restraints) Performing minimization step: 2513. Total energy = 151479.4909 kcal/mol (151458.0586 without restraints) Performing minimization step: 2514. Total energy = 151298.1085 kcal/mol (151276.7223 without restraints) Performing minimization step: 2515. Total energy = 151117.1165 kcal/mol (151095.7763 without restraints) Performing minimization step: 2516. Total energy = 150936.5138 kcal/mol (150915.2195 without restraints) Performing minimization step: 2517. Total energy = 150756.2997 kcal/mol (150735.0512 without restraints) Performing minimization step: 2518. Total energy = 150576.4731 kcal/mol (150555.2703 without restraints) Performing minimization step: 2519. Total energy = 150397.0330 kcal/mol (150375.8758 without restraints) Performing minimization step: 2520. Total energy = 150217.9785 kcal/mol (150196.8667 without restraints) Performing minimization step: 2521. Total energy = 150039.3087 kcal/mol (150018.2422 without restraints) Performing minimization step: 2522. Total energy = 149861.0225 kcal/mol (149840.0013 without restraints) Performing minimization step: 2523. Total energy = 149683.1188 kcal/mol (149662.1427 without restraints) Performing minimization step: 2524. Total energy = 149505.5972 kcal/mol (149484.6660 without restraints) Performing minimization step: 2525. Total energy = 149328.4562 kcal/mol (149307.5700 without restraints) Performing minimization step: 2526. Total energy = 149151.6952 kcal/mol (149130.8538 without restraints) Performing minimization step: 2527. Total energy = 148975.3132 kcal/mol (148954.5165 without restraints) Performing minimization step: 2528. Total energy = 148799.3092 kcal/mol (148778.5571 without restraints) Performing minimization step: 2529. Total energy = 148623.6823 kcal/mol (148602.9746 without restraints) Performing minimization step: 2530. Total energy = 148448.4315 kcal/mol (148427.7682 without restraints) Performing minimization step: 2531. Total energy = 148273.5560 kcal/mol (148252.9369 without restraints) Performing minimization step: 2532. Total energy = 148099.0547 kcal/mol (148078.4797 without restraints) Performing minimization step: 2533. Total energy = 147924.9268 kcal/mol (147904.3958 without restraints) Performing minimization step: 2534. Total energy = 147751.1713 kcal/mol (147730.6842 without restraints) Performing minimization step: 2535. Total energy = 147577.7873 kcal/mol (147557.3440 without restraints) Performing minimization step: 2536. Total energy = 147404.7739 kcal/mol (147384.3743 without restraints) Performing minimization step: 2537. Total energy = 147232.1302 kcal/mol (147211.7742 without restraints) Performing minimization step: 2538. Total energy = 147059.8553 kcal/mol (147039.5427 without restraints) Performing minimization step: 2539. Total energy = 146887.9484 kcal/mol (146867.6792 without restraints) Performing minimization step: 2540. Total energy = 146716.4083 kcal/mol (146696.1823 without restraints) Performing minimization step: 2541. Total energy = 146545.2342 kcal/mol (146525.0514 without restraints) Performing minimization step: 2542. Total energy = 146374.4253 kcal/mol (146354.2857 without restraints) Performing minimization step: 2543. Total energy = 146203.9807 kcal/mol (146183.8839 without restraints) Performing minimization step: 2544. Total energy = 146033.8993 kcal/mol (146013.8453 without restraints) Performing minimization step: 2545. Total energy = 145864.1804 kcal/mol (145844.1691 without restraints) Performing minimization step: 2546. Total energy = 145694.8230 kcal/mol (145674.8543 without restraints) Performing minimization step: 2547. Total energy = 145525.8262 kcal/mol (145505.9001 without restraints) Performing minimization step: 2548. Total energy = 145357.1892 kcal/mol (145337.3055 without restraints) Performing minimization step: 2549. Total energy = 145188.9112 kcal/mol (145169.0698 without restraints) Performing minimization step: 2550. Total energy = 145020.9911 kcal/mol (145001.1920 without restraints) Performing minimization step: 2551. Total energy = 144853.4282 kcal/mol (144833.6711 without restraints) Performing minimization step: 2552. Total energy = 144686.2214 kcal/mol (144666.5063 without restraints) Performing minimization step: 2553. Total energy = 144519.3700 kcal/mol (144499.6968 without restraints) Performing minimization step: 2554. Total energy = 144352.8731 kcal/mol (144333.2417 without restraints) Performing minimization step: 2555. Total energy = 144186.7298 kcal/mol (144167.1401 without restraints) Performing minimization step: 2556. Total energy = 144020.9392 kcal/mol (144001.3911 without restraints) Performing minimization step: 2557. Total energy = 143855.5005 kcal/mol (143835.9939 without restraints) Performing minimization step: 2558. Total energy = 143690.4128 kcal/mol (143670.9476 without restraints) Performing minimization step: 2559. Total energy = 143525.6753 kcal/mol (143506.2513 without restraints) Performing minimization step: 2560. Total energy = 143361.2870 kcal/mol (143341.9042 without restraints) Performing minimization step: 2561. Total energy = 143197.2472 kcal/mol (143177.9055 without restraints) Performing minimization step: 2562. Total energy = 143033.5548 kcal/mol (143014.2539 without restraints) Performing minimization step: 2563. Total energy = 142870.2091 kcal/mol (142850.9492 without restraints) Performing minimization step: 2564. Total energy = 142707.2094 kcal/mol (142687.9903 without restraints) Performing minimization step: 2565. Total energy = 142544.5547 kcal/mol (142525.3762 without restraints) Performing minimization step: 2566. Total energy = 142382.2441 kcal/mol (142363.1063 without restraints) Performing minimization step: 2567. Total energy = 142220.2769 kcal/mol (142201.1795 without restraints) Performing minimization step: 2568. Total energy = 142058.6522 kcal/mol (142039.5951 without restraints) Performing minimization step: 2569. Total energy = 141897.3693 kcal/mol (141878.3527 without restraints) Performing minimization step: 2570. Total energy = 141736.4271 kcal/mol (141717.4505 without restraints) Performing minimization step: 2571. Total energy = 141575.8248 kcal/mol (141556.8883 without restraints) Performing minimization step: 2572. Total energy = 141415.5615 kcal/mol (141396.6650 without restraints) Performing minimization step: 2573. Total energy = 141255.6365 kcal/mol (141236.7799 without restraints) Performing minimization step: 2574. Total energy = 141096.0490 kcal/mol (141077.2322 without restraints) Performing minimization step: 2575. Total energy = 140936.7982 kcal/mol (140918.0210 without restraints) Performing minimization step: 2576. Total energy = 140777.8832 kcal/mol (140759.1456 without restraints) Performing minimization step: 2577. Total energy = 140619.3031 kcal/mol (140600.6050 without restraints) Performing minimization step: 2578. Total energy = 140461.0571 kcal/mol (140442.3984 without restraints) Performing minimization step: 2579. Total energy = 140303.1446 kcal/mol (140284.5252 without restraints) Performing minimization step: 2580. Total energy = 140145.5646 kcal/mol (140126.9844 without restraints) Performing minimization step: 2581. Total energy = 139988.3163 kcal/mol (139969.7752 without restraints) Performing minimization step: 2582. Total energy = 139831.3990 kcal/mol (139812.8970 without restraints) Performing minimization step: 2583. Total energy = 139674.8120 kcal/mol (139656.3489 without restraints) Performing minimization step: 2584. Total energy = 139518.5540 kcal/mol (139500.1297 without restraints) Performing minimization step: 2585. Total energy = 139362.6245 kcal/mol (139344.2389 without restraints) Performing minimization step: 2586. Total energy = 139207.0229 kcal/mol (139188.6759 without restraints) Performing minimization step: 2587. Total energy = 139051.7479 kcal/mol (139033.4395 without restraints) Performing minimization step: 2588. Total energy = 138896.7990 kcal/mol (138878.5290 without restraints) Performing minimization step: 2589. Total energy = 138742.1754 kcal/mol (138723.9437 without restraints) Performing minimization step: 2590. Total energy = 138587.8762 kcal/mol (138569.6828 without restraints) Performing minimization step: 2591. Total energy = 138433.9007 kcal/mol (138415.7455 without restraints) Performing minimization step: 2592. Total energy = 138280.2481 kcal/mol (138262.1309 without restraints) Performing minimization step: 2593. Total energy = 138126.9177 kcal/mol (138108.8384 without restraints) Performing minimization step: 2594. Total energy = 137973.9085 kcal/mol (137955.8672 without restraints) Performing minimization step: 2595. Total energy = 137821.2199 kcal/mol (137803.2163 without restraints) Performing minimization step: 2596. Total energy = 137668.8510 kcal/mol (137650.8852 without restraints) Performing minimization step: 2597. Total energy = 137516.8011 kcal/mol (137498.8729 without restraints) Performing minimization step: 2598. Total energy = 137365.0694 kcal/mol (137347.1787 without restraints) Performing minimization step: 2599. Total energy = 137213.6551 kcal/mol (137195.8018 without restraints) Performing minimization step: 2600. Total energy = 137062.5574 kcal/mol (137044.7414 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2601. Total energy = 136911.7756 kcal/mol (136893.9969 without restraints) Performing minimization step: 2602. Total energy = 136761.3089 kcal/mol (136743.5673 without restraints) Performing minimization step: 2603. Total energy = 136611.1565 kcal/mol (136593.4519 without restraints) Performing minimization step: 2604. Total energy = 136461.3177 kcal/mol (136443.6501 without restraints) Performing minimization step: 2605. Total energy = 136311.7914 kcal/mol (136294.1607 without restraints) Performing minimization step: 2606. Total energy = 136162.5774 kcal/mol (136144.9834 without restraints) Performing minimization step: 2607. Total energy = 136013.6748 kcal/mol (135996.1176 without restraints) Performing minimization step: 2608. Total energy = 135865.0826 kcal/mol (135847.5620 without restraints) Performing minimization step: 2609. Total energy = 135716.8004 kcal/mol (135699.3163 without restraints) Performing minimization step: 2610. Total energy = 135568.8269 kcal/mol (135551.3792 without restraints) Performing minimization step: 2611. Total energy = 135421.1618 kcal/mol (135403.7505 without restraints) Performing minimization step: 2612. Total energy = 135273.8045 kcal/mol (135256.4295 without restraints) Performing minimization step: 2613. Total energy = 135126.7538 kcal/mol (135109.4149 without restraints) Performing minimization step: 2614. Total energy = 134980.0088 kcal/mol (134962.7059 without restraints) Performing minimization step: 2615. Total energy = 134833.5691 kcal/mol (134816.3022 without restraints) Performing minimization step: 2616. Total energy = 134687.4341 kcal/mol (134670.2031 without restraints) Performing minimization step: 2617. Total energy = 134541.6029 kcal/mol (134524.4077 without restraints) Performing minimization step: 2618. Total energy = 134396.0745 kcal/mol (134378.9150 without restraints) Performing minimization step: 2619. Total energy = 134250.8484 kcal/mol (134233.7246 without restraints) Performing minimization step: 2620. Total energy = 134105.9238 kcal/mol (134088.8356 without restraints) Performing minimization step: 2621. Total energy = 133961.3001 kcal/mol (133944.2473 without restraints) Performing minimization step: 2622. Total energy = 133816.9764 kcal/mol (133799.9590 without restraints) Performing minimization step: 2623. Total energy = 133672.9522 kcal/mol (133655.9702 without restraints) Performing minimization step: 2624. Total energy = 133529.2266 kcal/mol (133512.2797 without restraints) Performing minimization step: 2625. Total energy = 133385.7989 kcal/mol (133368.8871 without restraints) Performing minimization step: 2626. Total energy = 133242.6684 kcal/mol (133225.7917 without restraints) Performing minimization step: 2627. Total energy = 133099.8346 kcal/mol (133082.9928 without restraints) Performing minimization step: 2628. Total energy = 132957.2962 kcal/mol (132940.4892 without restraints) Performing minimization step: 2629. Total energy = 132815.0531 kcal/mol (132798.2809 without restraints) Performing minimization step: 2630. Total energy = 132673.1040 kcal/mol (132656.3665 without restraints) Performing minimization step: 2631. Total energy = 132531.4485 kcal/mol (132514.7456 without restraints) Performing minimization step: 2632. Total energy = 132390.0859 kcal/mol (132373.4176 without restraints) Performing minimization step: 2633. Total energy = 132249.0154 kcal/mol (132232.3815 without restraints) Performing minimization step: 2634. Total energy = 132108.2364 kcal/mol (132091.6369 without restraints) Performing minimization step: 2635. Total energy = 131967.7483 kcal/mol (131951.1831 without restraints) Performing minimization step: 2636. Total energy = 131827.5502 kcal/mol (131811.0193 without restraints) Performing minimization step: 2637. Total energy = 131687.6415 kcal/mol (131671.1446 without restraints) Performing minimization step: 2638. Total energy = 131548.0213 kcal/mol (131531.5583 without restraints) Performing minimization step: 2639. Total energy = 131408.6889 kcal/mol (131392.2600 without restraints) Performing minimization step: 2640. Total energy = 131269.6438 kcal/mol (131253.2487 without restraints) Performing minimization step: 2641. Total energy = 131130.8853 kcal/mol (131114.5240 without restraints) Performing minimization step: 2642. Total energy = 130992.4126 kcal/mol (130976.0850 without restraints) Performing minimization step: 2643. Total energy = 130854.2250 kcal/mol (130837.9310 without restraints) Performing minimization step: 2644. Total energy = 130716.3220 kcal/mol (130700.0616 without restraints) Performing minimization step: 2645. Total energy = 130578.7028 kcal/mol (130562.4757 without restraints) Performing minimization step: 2646. Total energy = 130441.3665 kcal/mol (130425.1728 without restraints) Performing minimization step: 2647. Total energy = 130304.3128 kcal/mol (130288.1525 without restraints) Performing minimization step: 2648. Total energy = 130167.5407 kcal/mol (130151.4135 without restraints) Performing minimization step: 2649. Total energy = 130031.0496 kcal/mol (130014.9555 without restraints) Performing minimization step: 2650. Total energy = 129894.8390 kcal/mol (129878.7780 without restraints) Performing minimization step: 2651. Total energy = 129758.9080 kcal/mol (129742.8800 without restraints) Performing minimization step: 2652. Total energy = 129623.2558 kcal/mol (129607.2607 without restraints) Performing minimization step: 2653. Total energy = 129487.8820 kcal/mol (129471.9197 without restraints) Performing minimization step: 2654. Total energy = 129352.7860 kcal/mol (129336.8564 without restraints) Performing minimization step: 2655. Total energy = 129217.9668 kcal/mol (129202.0699 without restraints) Performing minimization step: 2656. Total energy = 129083.4239 kcal/mol (129067.5595 without restraints) Performing minimization step: 2657. Total energy = 128949.1565 kcal/mol (128933.3247 without restraints) Performing minimization step: 2658. Total energy = 128815.1642 kcal/mol (128799.3647 without restraints) Performing minimization step: 2659. Total energy = 128681.4461 kcal/mol (128665.6790 without restraints) Performing minimization step: 2660. Total energy = 128548.0021 kcal/mol (128532.2672 without restraints) Performing minimization step: 2661. Total energy = 128414.8307 kcal/mol (128399.1281 without restraints) Performing minimization step: 2662. Total energy = 128281.9316 kcal/mol (128266.2610 without restraints) Performing minimization step: 2663. Total energy = 128149.3041 kcal/mol (128133.6655 without restraints) Performing minimization step: 2664. Total energy = 128016.9477 kcal/mol (128001.3411 without restraints) Performing minimization step: 2665. Total energy = 127884.8615 kcal/mol (127869.2868 without restraints) Performing minimization step: 2666. Total energy = 127753.0450 kcal/mol (127737.5020 without restraints) Performing minimization step: 2667. Total energy = 127621.4974 kcal/mol (127605.9862 without restraints) Performing minimization step: 2668. Total energy = 127490.2183 kcal/mol (127474.7387 without restraints) Performing minimization step: 2669. Total energy = 127359.2071 kcal/mol (127343.7591 without restraints) Performing minimization step: 2670. Total energy = 127228.4628 kcal/mol (127213.0463 without restraints) Performing minimization step: 2671. Total energy = 127097.9851 kcal/mol (127082.5999 without restraints) Performing minimization step: 2672. Total energy = 126967.7728 kcal/mol (126952.4190 without restraints) Performing minimization step: 2673. Total energy = 126837.8258 kcal/mol (126822.5033 without restraints) Performing minimization step: 2674. Total energy = 126708.1435 kcal/mol (126692.8521 without restraints) Performing minimization step: 2675. Total energy = 126578.7249 kcal/mol (126563.4646 without restraints) Performing minimization step: 2676. Total energy = 126449.5696 kcal/mol (126434.3404 without restraints) Performing minimization step: 2677. Total energy = 126320.6768 kcal/mol (126305.4785 without restraints) Performing minimization step: 2678. Total energy = 126192.0460 kcal/mol (126176.8786 without restraints) Performing minimization step: 2679. Total energy = 126063.6765 kcal/mol (126048.5400 without restraints) Performing minimization step: 2680. Total energy = 125935.5677 kcal/mol (125920.4619 without restraints) Performing minimization step: 2681. Total energy = 125807.7190 kcal/mol (125792.6438 without restraints) Performing minimization step: 2682. Total energy = 125680.1297 kcal/mol (125665.0851 without restraints) Performing minimization step: 2683. Total energy = 125552.7992 kcal/mol (125537.7851 without restraints) Performing minimization step: 2684. Total energy = 125425.7269 kcal/mol (125410.7433 without restraints) Performing minimization step: 2685. Total energy = 125298.9121 kcal/mol (125283.9589 without restraints) Performing minimization step: 2686. Total energy = 125172.3543 kcal/mol (125157.4314 without restraints) Performing minimization step: 2687. Total energy = 125046.0529 kcal/mol (125031.1601 without restraints) Performing minimization step: 2688. Total energy = 124920.0071 kcal/mol (124905.1445 without restraints) Performing minimization step: 2689. Total energy = 124794.2165 kcal/mol (124779.3840 without restraints) Performing minimization step: 2690. Total energy = 124668.6804 kcal/mol (124653.8778 without restraints) Performing minimization step: 2691. Total energy = 124543.3980 kcal/mol (124528.6254 without restraints) Performing minimization step: 2692. Total energy = 124418.3688 kcal/mol (124403.6261 without restraints) Performing minimization step: 2693. Total energy = 124293.5923 kcal/mol (124278.8794 without restraints) Performing minimization step: 2694. Total energy = 124169.0679 kcal/mol (124154.3846 without restraints) Performing minimization step: 2695. Total energy = 124044.7948 kcal/mol (124030.1412 without restraints) Performing minimization step: 2696. Total energy = 123920.7725 kcal/mol (123906.1485 without restraints) Performing minimization step: 2697. Total energy = 123797.0005 kcal/mol (123782.4059 without restraints) Performing minimization step: 2698. Total energy = 123673.4781 kcal/mol (123658.9129 without restraints) Performing minimization step: 2699. Total energy = 123550.2046 kcal/mol (123535.6689 without restraints) Performing minimization step: 2700. Total energy = 123427.1796 kcal/mol (123412.6731 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2701. Total energy = 123304.4023 kcal/mol (123289.9250 without restraints) Performing minimization step: 2702. Total energy = 123181.8723 kcal/mol (123167.4242 without restraints) Performing minimization step: 2703. Total energy = 123059.5889 kcal/mol (123045.1698 without restraints) Performing minimization step: 2704. Total energy = 122937.5515 kcal/mol (122923.1614 without restraints) Performing minimization step: 2705. Total energy = 122815.7590 kcal/mol (122801.3979 without restraints) Performing minimization step: 2706. Total energy = 122694.2118 kcal/mol (122679.8796 without restraints) Performing minimization step: 2707. Total energy = 122572.9089 kcal/mol (122558.6054 without restraints) Performing minimization step: 2708. Total energy = 122451.8499 kcal/mol (122437.5753 without restraints) Performing minimization step: 2709. Total energy = 122331.0338 kcal/mol (122316.7877 without restraints) Performing minimization step: 2710. Total energy = 122210.4600 kcal/mol (122196.2425 without restraints) Performing minimization step: 2711. Total energy = 122090.1282 kcal/mol (122075.9392 without restraints) Performing minimization step: 2712. Total energy = 121970.0377 kcal/mol (121955.8772 without restraints) Performing minimization step: 2713. Total energy = 121850.1881 kcal/mol (121836.0560 without restraints) Performing minimization step: 2714. Total energy = 121730.5786 kcal/mol (121716.4748 without restraints) Performing minimization step: 2715. Total energy = 121611.2087 kcal/mol (121597.1332 without restraints) Performing minimization step: 2716. Total energy = 121492.0778 kcal/mol (121478.0305 without restraints) Performing minimization step: 2717. Total energy = 121373.1851 kcal/mol (121359.1657 without restraints) Performing minimization step: 2718. Total energy = 121254.5302 kcal/mol (121240.5390 without restraints) Performing minimization step: 2719. Total energy = 121136.1127 kcal/mol (121122.1494 without restraints) Performing minimization step: 2720. Total energy = 121017.9318 kcal/mol (121003.9964 without restraints) Performing minimization step: 2721. Total energy = 120899.9871 kcal/mol (120886.0796 without restraints) Performing minimization step: 2722. Total energy = 120782.2780 kcal/mol (120768.3982 without restraints) Performing minimization step: 2723. Total energy = 120664.8038 kcal/mol (120650.9517 without restraints) Performing minimization step: 2724. Total energy = 120547.5641 kcal/mol (120533.7396 without restraints) Performing minimization step: 2725. Total energy = 120430.5582 kcal/mol (120416.7614 without restraints) Performing minimization step: 2726. Total energy = 120313.7857 kcal/mol (120300.0163 without restraints) Performing minimization step: 2727. Total energy = 120197.2459 kcal/mol (120183.5040 without restraints) Performing minimization step: 2728. Total energy = 120080.9383 kcal/mol (120067.2237 without restraints) Performing minimization step: 2729. Total energy = 119964.8623 kcal/mol (119951.1751 without restraints) Performing minimization step: 2730. Total energy = 119849.0174 kcal/mol (119835.3574 without restraints) Performing minimization step: 2731. Total energy = 119733.4030 kcal/mol (119719.7702 without restraints) Performing minimization step: 2732. Total energy = 119618.0186 kcal/mol (119604.4128 without restraints) Performing minimization step: 2733. Total energy = 119502.8635 kcal/mol (119489.2849 without restraints) Performing minimization step: 2734. Total energy = 119387.9374 kcal/mol (119374.3857 without restraints) Performing minimization step: 2735. Total energy = 119273.2395 kcal/mol (119259.7147 without restraints) Performing minimization step: 2736. Total energy = 119158.7694 kcal/mol (119145.2715 without restraints) Performing minimization step: 2737. Total energy = 119044.5265 kcal/mol (119031.0554 without restraints) Performing minimization step: 2738. Total energy = 118930.5103 kcal/mol (118917.0658 without restraints) Performing minimization step: 2739. Total energy = 118816.7201 kcal/mol (118803.3024 without restraints) Performing minimization step: 2740. Total energy = 118703.1556 kcal/mol (118689.7644 without restraints) Performing minimization step: 2741. Total energy = 118589.8161 kcal/mol (118576.4514 without restraints) Performing minimization step: 2742. Total energy = 118476.7010 kcal/mol (118463.3629 without restraints) Performing minimization step: 2743. Total energy = 118363.8101 kcal/mol (118350.4984 without restraints) Performing minimization step: 2744. Total energy = 118251.1425 kcal/mol (118237.8571 without restraints) Performing minimization step: 2745. Total energy = 118138.6980 kcal/mol (118125.4388 without restraints) Performing minimization step: 2746. Total energy = 118026.4755 kcal/mol (118013.2426 without restraints) Performing minimization step: 2747. Total energy = 117914.4749 kcal/mol (117901.2681 without restraints) Performing minimization step: 2748. Total energy = 117802.6955 kcal/mol (117789.5148 without restraints) Performing minimization step: 2749. Total energy = 117691.1369 kcal/mol (117677.9823 without restraints) Performing minimization step: 2750. Total energy = 117579.7986 kcal/mol (117566.6698 without restraints) Performing minimization step: 2751. Total energy = 117468.6793 kcal/mol (117455.5765 without restraints) Performing minimization step: 2752. Total energy = 117357.7798 kcal/mol (117344.7028 without restraints) Performing minimization step: 2753. Total energy = 117247.0988 kcal/mol (117234.0476 without restraints) Performing minimization step: 2754. Total energy = 117136.6360 kcal/mol (117123.6105 without restraints) Performing minimization step: 2755. Total energy = 117026.3908 kcal/mol (117013.3909 without restraints) Performing minimization step: 2756. Total energy = 116916.3627 kcal/mol (116903.3885 without restraints) Performing minimization step: 2757. Total energy = 116806.5511 kcal/mol (116793.6024 without restraints) Performing minimization step: 2758. Total energy = 116696.9558 kcal/mol (116684.0326 without restraints) Performing minimization step: 2759. Total energy = 116587.5755 kcal/mol (116574.6777 without restraints) Performing minimization step: 2760. Total energy = 116478.4104 kcal/mol (116465.5378 without restraints) Performing minimization step: 2761. Total energy = 116369.4597 kcal/mol (116356.6124 without restraints) Performing minimization step: 2762. Total energy = 116260.7229 kcal/mol (116247.9009 without restraints) Performing minimization step: 2763. Total energy = 116152.1999 kcal/mol (116139.4030 without restraints) Performing minimization step: 2764. Total energy = 116043.8895 kcal/mol (116031.1178 without restraints) Performing minimization step: 2765. Total energy = 115935.7916 kcal/mol (115923.0448 without restraints) Performing minimization step: 2766. Total energy = 115827.9057 kcal/mol (115815.1840 without restraints) Performing minimization step: 2767. Total energy = 115720.2311 kcal/mol (115707.5342 without restraints) Performing minimization step: 2768. Total energy = 115612.7673 kcal/mol (115600.0953 without restraints) Performing minimization step: 2769. Total energy = 115505.5139 kcal/mol (115492.8668 without restraints) Performing minimization step: 2770. Total energy = 115398.4704 kcal/mol (115385.8480 without restraints) Performing minimization step: 2771. Total energy = 115291.6362 kcal/mol (115279.0385 without restraints) Performing minimization step: 2772. Total energy = 115185.0109 kcal/mol (115172.4378 without restraints) Performing minimization step: 2773. Total energy = 115078.5942 kcal/mol (115066.0457 without restraints) Performing minimization step: 2774. Total energy = 114972.3852 kcal/mol (114959.8611 without restraints) Performing minimization step: 2775. Total energy = 114866.3835 kcal/mol (114853.8839 without restraints) Performing minimization step: 2776. Total energy = 114760.5888 kcal/mol (114748.1137 without restraints) Performing minimization step: 2777. Total energy = 114655.0007 kcal/mol (114642.5498 without restraints) Performing minimization step: 2778. Total energy = 114549.6181 kcal/mol (114537.1915 without restraints) Performing minimization step: 2779. Total energy = 114444.4410 kcal/mol (114432.0386 without restraints) Performing minimization step: 2780. Total energy = 114339.4687 kcal/mol (114327.0905 without restraints) Performing minimization step: 2781. Total energy = 114234.7010 kcal/mol (114222.3469 without restraints) Performing minimization step: 2782. Total energy = 114130.1372 kcal/mol (114117.8072 without restraints) Performing minimization step: 2783. Total energy = 114025.7768 kcal/mol (114013.4707 without restraints) Performing minimization step: 2784. Total energy = 113921.6192 kcal/mol (113909.3370 without restraints) Performing minimization step: 2785. Total energy = 113817.6640 kcal/mol (113805.4057 without restraints) Performing minimization step: 2786. Total energy = 113713.9108 kcal/mol (113701.6763 without restraints) Performing minimization step: 2787. Total energy = 113610.3591 kcal/mol (113598.1484 without restraints) Performing minimization step: 2788. Total energy = 113507.0086 kcal/mol (113494.8216 without restraints) Performing minimization step: 2789. Total energy = 113403.8584 kcal/mol (113391.6950 without restraints) Performing minimization step: 2790. Total energy = 113300.9083 kcal/mol (113288.7684 without restraints) Performing minimization step: 2791. Total energy = 113198.1576 kcal/mol (113186.0413 without restraints) Performing minimization step: 2792. Total energy = 113095.6058 kcal/mol (113083.5130 without restraints) Performing minimization step: 2793. Total energy = 112993.2529 kcal/mol (112981.1834 without restraints) Performing minimization step: 2794. Total energy = 112891.0980 kcal/mol (112879.0520 without restraints) Performing minimization step: 2795. Total energy = 112789.1411 kcal/mol (112777.1183 without restraints) Performing minimization step: 2796. Total energy = 112687.3814 kcal/mol (112675.3819 without restraints) Performing minimization step: 2797. Total energy = 112585.8181 kcal/mol (112573.8418 without restraints) Performing minimization step: 2798. Total energy = 112484.4510 kcal/mol (112472.4978 without restraints) Performing minimization step: 2799. Total energy = 112383.2797 kcal/mol (112371.3496 without restraints) Performing minimization step: 2800. Total energy = 112282.3034 kcal/mol (112270.3963 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2801. Total energy = 112181.5222 kcal/mol (112169.6380 without restraints) Performing minimization step: 2802. Total energy = 112080.9353 kcal/mol (112069.0741 without restraints) Performing minimization step: 2803. Total energy = 111980.5423 kcal/mol (111968.7039 without restraints) Performing minimization step: 2804. Total energy = 111880.3427 kcal/mol (111868.5271 without restraints) Performing minimization step: 2805. Total energy = 111780.3360 kcal/mol (111768.5432 without restraints) Performing minimization step: 2806. Total energy = 111680.5219 kcal/mol (111668.7518 without restraints) Performing minimization step: 2807. Total energy = 111580.8998 kcal/mol (111569.1523 without restraints) Performing minimization step: 2808. Total energy = 111481.4693 kcal/mol (111469.7444 without restraints) Performing minimization step: 2809. Total energy = 111382.2301 kcal/mol (111370.5277 without restraints) Performing minimization step: 2810. Total energy = 111283.1813 kcal/mol (111271.5014 without restraints) Performing minimization step: 2811. Total energy = 111184.3227 kcal/mol (111172.6653 without restraints) Performing minimization step: 2812. Total energy = 111085.6539 kcal/mol (111074.0188 without restraints) Performing minimization step: 2813. Total energy = 110987.1743 kcal/mol (110975.5616 without restraints) Performing minimization step: 2814. Total energy = 110888.8840 kcal/mol (110877.2935 without restraints) Performing minimization step: 2815. Total energy = 110790.7820 kcal/mol (110779.2138 without restraints) Performing minimization step: 2816. Total energy = 110692.8677 kcal/mol (110681.3215 without restraints) Performing minimization step: 2817. Total energy = 110595.1407 kcal/mol (110583.6167 without restraints) Performing minimization step: 2818. Total energy = 110497.6008 kcal/mol (110486.0988 without restraints) Performing minimization step: 2819. Total energy = 110400.2474 kcal/mol (110388.7674 without restraints) Performing minimization step: 2820. Total energy = 110303.0803 kcal/mol (110291.6222 without restraints) Performing minimization step: 2821. Total energy = 110206.0990 kcal/mol (110194.6628 without restraints) Performing minimization step: 2822. Total energy = 110109.3028 kcal/mol (110097.8884 without restraints) Performing minimization step: 2823. Total energy = 110012.6913 kcal/mol (110001.2987 without restraints) Performing minimization step: 2824. Total energy = 109916.2641 kcal/mol (109904.8933 without restraints) Performing minimization step: 2825. Total energy = 109820.0209 kcal/mol (109808.6718 without restraints) Performing minimization step: 2826. Total energy = 109723.9612 kcal/mol (109712.6337 without restraints) Performing minimization step: 2827. Total energy = 109628.0844 kcal/mol (109616.7785 without restraints) Performing minimization step: 2828. Total energy = 109532.3903 kcal/mol (109521.1059 without restraints) Performing minimization step: 2829. Total energy = 109436.8783 kcal/mol (109425.6154 without restraints) Performing minimization step: 2830. Total energy = 109341.5481 kcal/mol (109330.3067 without restraints) Performing minimization step: 2831. Total energy = 109246.3992 kcal/mol (109235.1791 without restraints) Performing minimization step: 2832. Total energy = 109151.4311 kcal/mol (109140.2323 without restraints) Performing minimization step: 2833. Total energy = 109056.6434 kcal/mol (109045.4658 without restraints) Performing minimization step: 2834. Total energy = 108962.0357 kcal/mol (108950.8794 without restraints) Performing minimization step: 2835. Total energy = 108867.6075 kcal/mol (108856.4724 without restraints) Performing minimization step: 2836. Total energy = 108773.3584 kcal/mol (108762.2444 without restraints) Performing minimization step: 2837. Total energy = 108679.2881 kcal/mol (108668.1951 without restraints) Performing minimization step: 2838. Total energy = 108585.3963 kcal/mol (108574.3243 without restraints) Performing minimization step: 2839. Total energy = 108491.6820 kcal/mol (108480.6310 without restraints) Performing minimization step: 2840. Total energy = 108398.1451 kcal/mol (108387.1150 without restraints) Performing minimization step: 2841. Total energy = 108304.7853 kcal/mol (108293.7761 without restraints) Performing minimization step: 2842. Total energy = 108211.6019 kcal/mol (108200.6135 without restraints) Performing minimization step: 2843. Total energy = 108118.5949 kcal/mol (108107.6273 without restraints) Performing minimization step: 2844. Total energy = 108025.7634 kcal/mol (108014.8165 without restraints) Performing minimization step: 2845. Total energy = 107933.1071 kcal/mol (107922.1809 without restraints) Performing minimization step: 2846. Total energy = 107840.6257 kcal/mol (107829.7201 without restraints) Performing minimization step: 2847. Total energy = 107748.3190 kcal/mol (107737.4339 without restraints) Performing minimization step: 2848. Total energy = 107656.1864 kcal/mol (107645.3218 without restraints) Performing minimization step: 2849. Total energy = 107564.2271 kcal/mol (107553.3830 without restraints) Performing minimization step: 2850. Total energy = 107472.4410 kcal/mol (107461.6173 without restraints) Performing minimization step: 2851. Total energy = 107380.8277 kcal/mol (107370.0244 without restraints) Performing minimization step: 2852. Total energy = 107289.3867 kcal/mol (107278.6038 without restraints) Performing minimization step: 2853. Total energy = 107198.1179 kcal/mol (107187.3552 without restraints) Performing minimization step: 2854. Total energy = 107107.0205 kcal/mol (107096.2780 without restraints) Performing minimization step: 2855. Total energy = 107016.0942 kcal/mol (107005.3719 without restraints) Performing minimization step: 2856. Total energy = 106925.3386 kcal/mol (106914.6364 without restraints) Performing minimization step: 2857. Total energy = 106834.7532 kcal/mol (106824.0712 without restraints) Performing minimization step: 2858. Total energy = 106744.3381 kcal/mol (106733.6760 without restraints) Performing minimization step: 2859. Total energy = 106654.0922 kcal/mol (106643.4501 without restraints) Performing minimization step: 2860. Total energy = 106564.0154 kcal/mol (106553.3932 without restraints) Performing minimization step: 2861. Total energy = 106474.1072 kcal/mol (106463.5050 without restraints) Performing minimization step: 2862. Total energy = 106384.3674 kcal/mol (106373.7849 without restraints) Performing minimization step: 2863. Total energy = 106294.7954 kcal/mol (106284.2327 without restraints) Performing minimization step: 2864. Total energy = 106205.3907 kcal/mol (106194.8478 without restraints) Performing minimization step: 2865. Total energy = 106116.1532 kcal/mol (106105.6300 without restraints) Performing minimization step: 2866. Total energy = 106027.0825 kcal/mol (106016.5789 without restraints) Performing minimization step: 2867. Total energy = 105938.1779 kcal/mol (105927.6940 without restraints) Performing minimization step: 2868. Total energy = 105849.4393 kcal/mol (105838.9749 without restraints) Performing minimization step: 2869. Total energy = 105760.8661 kcal/mol (105750.4212 without restraints) Performing minimization step: 2870. Total energy = 105672.4579 kcal/mol (105662.0324 without restraints) Performing minimization step: 2871. Total energy = 105584.2144 kcal/mol (105573.8084 without restraints) Performing minimization step: 2872. Total energy = 105496.1354 kcal/mol (105485.7489 without restraints) Performing minimization step: 2873. Total energy = 105408.2203 kcal/mol (105397.8530 without restraints) Performing minimization step: 2874. Total energy = 105320.4688 kcal/mol (105310.1207 without restraints) Performing minimization step: 2875. Total energy = 105232.8801 kcal/mol (105222.5512 without restraints) Performing minimization step: 2876. Total energy = 105145.4541 kcal/mol (105135.1445 without restraints) Performing minimization step: 2877. Total energy = 105058.1904 kcal/mol (105047.8999 without restraints) Performing minimization step: 2878. Total energy = 104971.0887 kcal/mol (104960.8173 without restraints) Performing minimization step: 2879. Total energy = 104884.1486 kcal/mol (104873.8962 without restraints) Performing minimization step: 2880. Total energy = 104797.3696 kcal/mol (104787.1362 without restraints) Performing minimization step: 2881. Total energy = 104710.7513 kcal/mol (104700.5369 without restraints) Performing minimization step: 2882. Total energy = 104624.2937 kcal/mol (104614.0982 without restraints) Performing minimization step: 2883. Total energy = 104537.9958 kcal/mol (104527.8192 without restraints) Performing minimization step: 2884. Total energy = 104451.8575 kcal/mol (104441.6997 without restraints) Performing minimization step: 2885. Total energy = 104365.8785 kcal/mol (104355.7394 without restraints) Performing minimization step: 2886. Total energy = 104280.0585 kcal/mol (104269.9383 without restraints) Performing minimization step: 2887. Total energy = 104194.3969 kcal/mol (104184.2952 without restraints) Performing minimization step: 2888. Total energy = 104108.8931 kcal/mol (104098.8101 without restraints) Performing minimization step: 2889. Total energy = 104023.5472 kcal/mol (104013.4828 without restraints) Performing minimization step: 2890. Total energy = 103938.3586 kcal/mol (103928.3127 without restraints) Performing minimization step: 2891. Total energy = 103853.3269 kcal/mol (103843.2996 without restraints) Performing minimization step: 2892. Total energy = 103768.4520 kcal/mol (103758.4432 without restraints) Performing minimization step: 2893. Total energy = 103683.7334 kcal/mol (103673.7429 without restraints) Performing minimization step: 2894. Total energy = 103599.1704 kcal/mol (103589.1983 without restraints) Performing minimization step: 2895. Total energy = 103514.7628 kcal/mol (103504.8090 without restraints) Performing minimization step: 2896. Total energy = 103430.5102 kcal/mol (103420.5747 without restraints) Performing minimization step: 2897. Total energy = 103346.4127 kcal/mol (103336.4954 without restraints) Performing minimization step: 2898. Total energy = 103262.4692 kcal/mol (103252.5701 without restraints) Performing minimization step: 2899. Total energy = 103178.6798 kcal/mol (103168.7988 without restraints) Performing minimization step: 2900. Total energy = 103095.0438 kcal/mol (103085.1810 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 2901. Total energy = 103011.5611 kcal/mol (103001.7163 without restraints) Performing minimization step: 2902. Total energy = 102928.2313 kcal/mol (102918.4045 without restraints) Performing minimization step: 2903. Total energy = 102845.0539 kcal/mol (102835.2451 without restraints) Performing minimization step: 2904. Total energy = 102762.0288 kcal/mol (102752.2380 without restraints) Performing minimization step: 2905. Total energy = 102679.1553 kcal/mol (102669.3824 without restraints) Performing minimization step: 2906. Total energy = 102596.4332 kcal/mol (102586.6781 without restraints) Performing minimization step: 2907. Total energy = 102513.8621 kcal/mol (102504.1248 without restraints) Performing minimization step: 2908. Total energy = 102431.4418 kcal/mol (102421.7223 without restraints) Performing minimization step: 2909. Total energy = 102349.1717 kcal/mol (102339.4699 without restraints) Performing minimization step: 2910. Total energy = 102267.0515 kcal/mol (102257.3673 without restraints) Performing minimization step: 2911. Total energy = 102185.0810 kcal/mol (102175.4145 without restraints) Performing minimization step: 2912. Total energy = 102103.2596 kcal/mol (102093.6107 without restraints) Performing minimization step: 2913. Total energy = 102021.5873 kcal/mol (102011.9559 without restraints) Performing minimization step: 2914. Total energy = 101940.0633 kcal/mol (101930.4494 without restraints) Performing minimization step: 2915. Total energy = 101858.6873 kcal/mol (101849.0909 without restraints) Performing minimization step: 2916. Total energy = 101777.4594 kcal/mol (101767.8804 without restraints) Performing minimization step: 2917. Total energy = 101696.3787 kcal/mol (101686.8171 without restraints) Performing minimization step: 2918. Total energy = 101615.4449 kcal/mol (101605.9006 without restraints) Performing minimization step: 2919. Total energy = 101534.6580 kcal/mol (101525.1311 without restraints) Performing minimization step: 2920. Total energy = 101454.0175 kcal/mol (101444.5078 without restraints) Performing minimization step: 2921. Total energy = 101373.5231 kcal/mol (101364.0306 without restraints) Performing minimization step: 2922. Total energy = 101293.1745 kcal/mol (101283.6992 without restraints) Performing minimization step: 2923. Total energy = 101212.9710 kcal/mol (101203.5128 without restraints) Performing minimization step: 2924. Total energy = 101132.9124 kcal/mol (101123.4714 without restraints) Performing minimization step: 2925. Total energy = 101052.9986 kcal/mol (101043.5745 without restraints) Performing minimization step: 2926. Total energy = 100973.2291 kcal/mol (100963.8221 without restraints) Performing minimization step: 2927. Total energy = 100893.6033 kcal/mol (100884.2131 without restraints) Performing minimization step: 2928. Total energy = 100814.1210 kcal/mol (100804.7479 without restraints) Performing minimization step: 2929. Total energy = 100734.7821 kcal/mol (100725.4259 without restraints) Performing minimization step: 2930. Total energy = 100655.5861 kcal/mol (100646.2467 without restraints) Performing minimization step: 2931. Total energy = 100576.5326 kcal/mol (100567.2100 without restraints) Performing minimization step: 2932. Total energy = 100497.6213 kcal/mol (100488.3155 without restraints) Performing minimization step: 2933. Total energy = 100418.8519 kcal/mol (100409.5628 without restraints) Performing minimization step: 2934. Total energy = 100340.2242 kcal/mol (100330.9518 without restraints) Performing minimization step: 2935. Total energy = 100261.7375 kcal/mol (100252.4818 without restraints) Performing minimization step: 2936. Total energy = 100183.3917 kcal/mol (100174.1525 without restraints) Performing minimization step: 2937. Total energy = 100105.1860 kcal/mol (100095.9634 without restraints) Performing minimization step: 2938. Total energy = 100027.1208 kcal/mol (100017.9148 without restraints) Performing minimization step: 2939. Total energy = 99949.1955 kcal/mol (99940.0059 without restraints) Performing minimization step: 2940. Total energy = 99871.4096 kcal/mol (99862.2364 without restraints) Performing minimization step: 2941. Total energy = 99793.7626 kcal/mol (99784.6059 without restraints) Performing minimization step: 2942. Total energy = 99716.2548 kcal/mol (99707.1143 without restraints) Performing minimization step: 2943. Total energy = 99638.8852 kcal/mol (99629.7612 without restraints) Performing minimization step: 2944. Total energy = 99561.6540 kcal/mol (99552.5462 without restraints) Performing minimization step: 2945. Total energy = 99484.5605 kcal/mol (99475.4690 without restraints) Performing minimization step: 2946. Total energy = 99407.6045 kcal/mol (99398.5292 without restraints) Performing minimization step: 2947. Total energy = 99330.7857 kcal/mol (99321.7266 without restraints) Performing minimization step: 2948. Total energy = 99254.1038 kcal/mol (99245.0607 without restraints) Performing minimization step: 2949. Total energy = 99177.5582 kcal/mol (99168.5313 without restraints) Performing minimization step: 2950. Total energy = 99101.1489 kcal/mol (99092.1380 without restraints) Performing minimization step: 2951. Total energy = 99024.8754 kcal/mol (99015.8805 without restraints) Performing minimization step: 2952. Total energy = 98948.7374 kcal/mol (98939.7585 without restraints) Performing minimization step: 2953. Total energy = 98872.7346 kcal/mol (98863.7716 without restraints) Performing minimization step: 2954. Total energy = 98796.8666 kcal/mol (98787.9196 without restraints) Performing minimization step: 2955. Total energy = 98721.1332 kcal/mol (98712.2020 without restraints) Performing minimization step: 2956. Total energy = 98645.5340 kcal/mol (98636.6187 without restraints) Performing minimization step: 2957. Total energy = 98570.0687 kcal/mol (98561.1691 without restraints) Performing minimization step: 2958. Total energy = 98494.7369 kcal/mol (98485.8531 without restraints) Performing minimization step: 2959. Total energy = 98419.5385 kcal/mol (98410.6703 without restraints) Performing minimization step: 2960. Total energy = 98344.4729 kcal/mol (98335.6204 without restraints) Performing minimization step: 2961. Total energy = 98269.5399 kcal/mol (98260.7030 without restraints) Performing minimization step: 2962. Total energy = 98194.7393 kcal/mol (98185.9182 without restraints) Performing minimization step: 2963. Total energy = 98120.0706 kcal/mol (98111.2650 without restraints) Performing minimization step: 2964. Total energy = 98045.5335 kcal/mol (98036.7434 without restraints) Performing minimization step: 2965. Total energy = 97971.1277 kcal/mol (97962.3531 without restraints) Performing minimization step: 2966. Total energy = 97896.8530 kcal/mol (97888.0938 without restraints) Performing minimization step: 2967. Total energy = 97822.7089 kcal/mol (97813.9651 without restraints) Performing minimization step: 2968. Total energy = 97748.6952 kcal/mol (97739.9667 without restraints) Performing minimization step: 2969. Total energy = 97674.8115 kcal/mol (97666.0984 without restraints) Performing minimization step: 2970. Total energy = 97601.0577 kcal/mol (97592.3598 without restraints) Performing minimization step: 2971. Total energy = 97527.4332 kcal/mol (97518.7506 without restraints) Performing minimization step: 2972. Total energy = 97453.9379 kcal/mol (97445.2705 without restraints) Performing minimization step: 2973. Total energy = 97380.5713 kcal/mol (97371.9192 without restraints) Performing minimization step: 2974. Total energy = 97307.3336 kcal/mol (97298.6966 without restraints) Performing minimization step: 2975. Total energy = 97234.2238 kcal/mol (97225.6019 without restraints) Performing minimization step: 2976. Total energy = 97161.2418 kcal/mol (97152.6350 without restraints) Performing minimization step: 2977. Total energy = 97088.3875 kcal/mol (97079.7957 without restraints) Performing minimization step: 2978. Total energy = 97015.6605 kcal/mol (97007.0837 without restraints) Performing minimization step: 2979. Total energy = 96943.0603 kcal/mol (96934.4986 without restraints) Performing minimization step: 2980. Total energy = 96870.5869 kcal/mol (96862.0400 without restraints) Performing minimization step: 2981. Total energy = 96798.2398 kcal/mol (96789.7078 without restraints) Performing minimization step: 2982. Total energy = 96726.0187 kcal/mol (96717.5016 without restraints) Performing minimization step: 2983. Total energy = 96653.9234 kcal/mol (96645.4211 without restraints) Performing minimization step: 2984. Total energy = 96581.9535 kcal/mol (96573.4660 without restraints) Performing minimization step: 2985. Total energy = 96510.1086 kcal/mol (96501.6359 without restraints) Performing minimization step: 2986. Total energy = 96438.3887 kcal/mol (96429.9307 without restraints) Performing minimization step: 2987. Total energy = 96366.7933 kcal/mol (96358.3500 without restraints) Performing minimization step: 2988. Total energy = 96295.3222 kcal/mol (96286.8935 without restraints) Performing minimization step: 2989. Total energy = 96223.9749 kcal/mol (96215.5608 without restraints) Performing minimization step: 2990. Total energy = 96152.7513 kcal/mol (96144.3518 without restraints) Performing minimization step: 2991. Total energy = 96081.6512 kcal/mol (96073.2663 without restraints) Performing minimization step: 2992. Total energy = 96010.6741 kcal/mol (96002.3036 without restraints) Performing minimization step: 2993. Total energy = 95939.8197 kcal/mol (95931.4638 without restraints) Performing minimization step: 2994. Total energy = 95869.0877 kcal/mol (95860.7462 without restraints) Performing minimization step: 2995. Total energy = 95798.4776 kcal/mol (95790.1505 without restraints) Performing minimization step: 2996. Total energy = 95727.9895 kcal/mol (95719.6767 without restraints) Performing minimization step: 2997. Total energy = 95657.6230 kcal/mol (95649.3245 without restraints) Performing minimization step: 2998. Total energy = 95587.3777 kcal/mol (95579.0935 without restraints) Performing minimization step: 2999. Total energy = 95517.2534 kcal/mol (95508.9835 without restraints) Performing minimization step: 3000. Total energy = 95447.2498 kcal/mol (95438.9941 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3001. Total energy = 95377.3665 kcal/mol (95369.1250 without restraints) Performing minimization step: 3002. Total energy = 95307.6034 kcal/mol (95299.3761 without restraints) Performing minimization step: 3003. Total energy = 95237.9601 kcal/mol (95229.7469 without restraints) Performing minimization step: 3004. Total energy = 95168.4364 kcal/mol (95160.2373 without restraints) Performing minimization step: 3005. Total energy = 95099.0318 kcal/mol (95090.8467 without restraints) Performing minimization step: 3006. Total energy = 95029.7461 kcal/mol (95021.5751 without restraints) Performing minimization step: 3007. Total energy = 94960.5791 kcal/mol (94952.4221 without restraints) Performing minimization step: 3008. Total energy = 94891.5305 kcal/mol (94883.3874 without restraints) Performing minimization step: 3009. Total energy = 94822.6000 kcal/mol (94814.4710 without restraints) Performing minimization step: 3010. Total energy = 94753.7874 kcal/mol (94745.6721 without restraints) Performing minimization step: 3011. Total energy = 94685.0921 kcal/mol (94676.9907 without restraints) Performing minimization step: 3012. Total energy = 94616.5141 kcal/mol (94608.4265 without restraints) Performing minimization step: 3013. Total energy = 94548.0530 kcal/mol (94539.9792 without restraints) Performing minimization step: 3014. Total energy = 94479.7086 kcal/mol (94471.6485 without restraints) Performing minimization step: 3015. Total energy = 94411.4809 kcal/mol (94403.4345 without restraints) Performing minimization step: 3016. Total energy = 94343.3689 kcal/mol (94335.3363 without restraints) Performing minimization step: 3017. Total energy = 94275.3729 kcal/mol (94267.3539 without restraints) Performing minimization step: 3018. Total energy = 94207.4923 kcal/mol (94199.4869 without restraints) Performing minimization step: 3019. Total energy = 94139.7269 kcal/mol (94131.7351 without restraints) Performing minimization step: 3020. Total energy = 94072.0765 kcal/mol (94064.0983 without restraints) Performing minimization step: 3021. Total energy = 94004.5408 kcal/mol (93996.5761 without restraints) Performing minimization step: 3022. Total energy = 93937.1196 kcal/mol (93929.1683 without restraints) Performing minimization step: 3023. Total energy = 93869.8125 kcal/mol (93861.8747 without restraints) Performing minimization step: 3024. Total energy = 93802.6189 kcal/mol (93794.6946 without restraints) Performing minimization step: 3025. Total energy = 93735.5393 kcal/mol (93727.6283 without restraints) Performing minimization step: 3026. Total energy = 93668.5727 kcal/mol (93660.6750 without restraints) Performing minimization step: 3027. Total energy = 93601.7194 kcal/mol (93593.8351 without restraints) Performing minimization step: 3028. Total energy = 93534.9789 kcal/mol (93527.1079 without restraints) Performing minimization step: 3029. Total energy = 93468.3509 kcal/mol (93460.4931 without restraints) Performing minimization step: 3030. Total energy = 93401.8350 kcal/mol (93393.9905 without restraints) Performing minimization step: 3031. Total energy = 93335.4311 kcal/mol (93327.5998 without restraints) Performing minimization step: 3032. Total energy = 93269.1389 kcal/mol (93261.3208 without restraints) Performing minimization step: 3033. Total energy = 93202.9581 kcal/mol (93195.1531 without restraints) Performing minimization step: 3034. Total energy = 93136.8885 kcal/mol (93129.0966 without restraints) Performing minimization step: 3035. Total energy = 93070.9295 kcal/mol (93063.1506 without restraints) Performing minimization step: 3036. Total energy = 93005.0815 kcal/mol (92997.3157 without restraints) Performing minimization step: 3037. Total energy = 92939.3436 kcal/mol (92931.5908 without restraints) Performing minimization step: 3038. Total energy = 92873.7159 kcal/mol (92865.9761 without restraints) Performing minimization step: 3039. Total energy = 92808.1981 kcal/mol (92800.4712 without restraints) Performing minimization step: 3040. Total energy = 92742.7900 kcal/mol (92735.0762 without restraints) Performing minimization step: 3041. Total energy = 92677.4910 kcal/mol (92669.7899 without restraints) Performing minimization step: 3042. Total energy = 92612.3010 kcal/mol (92604.6128 without restraints) Performing minimization step: 3043. Total energy = 92547.2196 kcal/mol (92539.5442 without restraints) Performing minimization step: 3044. Total energy = 92482.2467 kcal/mol (92474.5841 without restraints) Performing minimization step: 3045. Total energy = 92417.3820 kcal/mol (92409.7321 without restraints) Performing minimization step: 3046. Total energy = 92352.6252 kcal/mol (92344.9881 without restraints) Performing minimization step: 3047. Total energy = 92287.9764 kcal/mol (92280.3520 without restraints) Performing minimization step: 3048. Total energy = 92223.4348 kcal/mol (92215.8231 without restraints) Performing minimization step: 3049. Total energy = 92159.0005 kcal/mol (92151.4014 without restraints) Performing minimization step: 3050. Total energy = 92094.6730 kcal/mol (92087.0865 without restraints) Performing minimization step: 3051. Total energy = 92030.4521 kcal/mol (92022.8782 without restraints) Performing minimization step: 3052. Total energy = 91966.3374 kcal/mol (91958.7760 without restraints) Performing minimization step: 3053. Total energy = 91902.3290 kcal/mol (91894.7801 without restraints) Performing minimization step: 3054. Total energy = 91838.4268 kcal/mol (91830.8904 without restraints) Performing minimization step: 3055. Total energy = 91774.6298 kcal/mol (91767.1058 without restraints) Performing minimization step: 3056. Total energy = 91710.9382 kcal/mol (91703.4266 without restraints) Performing minimization step: 3057. Total energy = 91647.3518 kcal/mol (91639.8527 without restraints) Performing minimization step: 3058. Total energy = 91583.8703 kcal/mol (91576.3835 without restraints) Performing minimization step: 3059. Total energy = 91520.4934 kcal/mol (91513.0190 without restraints) Performing minimization step: 3060. Total energy = 91457.2209 kcal/mol (91449.7587 without restraints) Performing minimization step: 3061. Total energy = 91394.0525 kcal/mol (91386.6026 without restraints) Performing minimization step: 3062. Total energy = 91330.9879 kcal/mol (91323.5502 without restraints) Performing minimization step: 3063. Total energy = 91268.0267 kcal/mol (91260.6013 without restraints) Performing minimization step: 3064. Total energy = 91205.1693 kcal/mol (91197.7563 without restraints) Performing minimization step: 3065. Total energy = 91142.4153 kcal/mol (91135.0143 without restraints) Performing minimization step: 3066. Total energy = 91079.7637 kcal/mol (91072.3747 without restraints) Performing minimization step: 3067. Total energy = 91017.2151 kcal/mol (91009.8382 without restraints) Performing minimization step: 3068. Total energy = 90954.7684 kcal/mol (90947.4036 without restraints) Performing minimization step: 3069. Total energy = 90892.4237 kcal/mol (90885.0709 without restraints) Performing minimization step: 3070. Total energy = 90830.1809 kcal/mol (90822.8401 without restraints) Performing minimization step: 3071. Total energy = 90768.0398 kcal/mol (90760.7112 without restraints) Performing minimization step: 3072. Total energy = 90706.0001 kcal/mol (90698.6833 without restraints) Performing minimization step: 3073. Total energy = 90644.0614 kcal/mol (90636.7565 without restraints) Performing minimization step: 3074. Total energy = 90582.2238 kcal/mol (90574.9308 without restraints) Performing minimization step: 3075. Total energy = 90520.4866 kcal/mol (90513.2056 without restraints) Performing minimization step: 3076. Total energy = 90458.8500 kcal/mol (90451.5806 without restraints) Performing minimization step: 3077. Total energy = 90397.3133 kcal/mol (90390.0558 without restraints) Performing minimization step: 3078. Total energy = 90335.8765 kcal/mol (90328.6307 without restraints) Performing minimization step: 3079. Total energy = 90274.5393 kcal/mol (90267.3053 without restraints) Performing minimization step: 3080. Total energy = 90213.3015 kcal/mol (90206.0793 without restraints) Performing minimization step: 3081. Total energy = 90152.1629 kcal/mol (90144.9523 without restraints) Performing minimization step: 3082. Total energy = 90091.1230 kcal/mol (90083.9241 without restraints) Performing minimization step: 3083. Total energy = 90030.1819 kcal/mol (90022.9946 without restraints) Performing minimization step: 3084. Total energy = 89969.3393 kcal/mol (89962.1637 without restraints) Performing minimization step: 3085. Total energy = 89908.5950 kcal/mol (89901.4310 without restraints) Performing minimization step: 3086. Total energy = 89847.9489 kcal/mol (89840.7964 without restraints) Performing minimization step: 3087. Total energy = 89787.4004 kcal/mol (89780.2593 without restraints) Performing minimization step: 3088. Total energy = 89726.9497 kcal/mol (89719.8202 without restraints) Performing minimization step: 3089. Total energy = 89666.5959 kcal/mol (89659.4778 without restraints) Performing minimization step: 3090. Total energy = 89606.3391 kcal/mol (89599.2325 without restraints) Performing minimization step: 3091. Total energy = 89546.1793 kcal/mol (89539.0841 without restraints) Performing minimization step: 3092. Total energy = 89486.1157 kcal/mol (89479.0318 without restraints) Performing minimization step: 3093. Total energy = 89426.1485 kcal/mol (89419.0761 without restraints) Performing minimization step: 3094. Total energy = 89366.2775 kcal/mol (89359.2164 without restraints) Performing minimization step: 3095. Total energy = 89306.5024 kcal/mol (89299.4525 without restraints) Performing minimization step: 3096. Total energy = 89246.8228 kcal/mol (89239.7842 without restraints) Performing minimization step: 3097. Total energy = 89187.2387 kcal/mol (89180.2113 without restraints) Performing minimization step: 3098. Total energy = 89127.7497 kcal/mol (89120.7336 without restraints) Performing minimization step: 3099. Total energy = 89068.3556 kcal/mol (89061.3507 without restraints) Performing minimization step: 3100. Total energy = 89009.0563 kcal/mol (89002.0625 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3101. Total energy = 88949.8514 kcal/mol (88942.8688 without restraints) Performing minimization step: 3102. Total energy = 88890.7408 kcal/mol (88883.7693 without restraints) Performing minimization step: 3103. Total energy = 88831.7241 kcal/mol (88824.7637 without restraints) Performing minimization step: 3104. Total energy = 88772.8013 kcal/mol (88765.8520 without restraints) Performing minimization step: 3105. Total energy = 88713.9721 kcal/mol (88707.0337 without restraints) Performing minimization step: 3106. Total energy = 88655.2361 kcal/mol (88648.3088 without restraints) Performing minimization step: 3107. Total energy = 88596.5933 kcal/mol (88589.6770 without restraints) Performing minimization step: 3108. Total energy = 88538.0434 kcal/mol (88531.1380 without restraints) Performing minimization step: 3109. Total energy = 88479.5863 kcal/mol (88472.6918 without restraints) Performing minimization step: 3110. Total energy = 88421.2215 kcal/mol (88414.3379 without restraints) Performing minimization step: 3111. Total energy = 88362.9488 kcal/mol (88356.0761 without restraints) Performing minimization step: 3112. Total energy = 88304.7682 kcal/mol (88297.9063 without restraints) Performing minimization step: 3113. Total energy = 88246.6793 kcal/mol (88239.8282 without restraints) Performing minimization step: 3114. Total energy = 88188.6819 kcal/mol (88181.8417 without restraints) Performing minimization step: 3115. Total energy = 88130.7762 kcal/mol (88123.9467 without restraints) Performing minimization step: 3116. Total energy = 88072.9612 kcal/mol (88066.1425 without restraints) Performing minimization step: 3117. Total energy = 88015.2372 kcal/mol (88008.4291 without restraints) Performing minimization step: 3118. Total energy = 87957.6038 kcal/mol (87950.8064 without restraints) Performing minimization step: 3119. Total energy = 87900.0609 kcal/mol (87893.2742 without restraints) Performing minimization step: 3120. Total energy = 87842.6082 kcal/mol (87835.8321 without restraints) Performing minimization step: 3121. Total energy = 87785.2452 kcal/mol (87778.4798 without restraints) Performing minimization step: 3122. Total energy = 87727.9721 kcal/mol (87721.2171 without restraints) Performing minimization step: 3123. Total energy = 87670.7884 kcal/mol (87664.0441 without restraints) Performing minimization step: 3124. Total energy = 87613.6946 kcal/mol (87606.9608 without restraints) Performing minimization step: 3125. Total energy = 87556.6897 kcal/mol (87549.9664 without restraints) Performing minimization step: 3126. Total energy = 87499.7737 kcal/mol (87493.0609 without restraints) Performing minimization step: 3127. Total energy = 87442.9464 kcal/mol (87436.2440 without restraints) Performing minimization step: 3128. Total energy = 87386.2078 kcal/mol (87379.5159 without restraints) Performing minimization step: 3129. Total energy = 87329.5572 kcal/mol (87322.8757 without restraints) Performing minimization step: 3130. Total energy = 87272.9947 kcal/mol (87266.3236 without restraints) Performing minimization step: 3131. Total energy = 87216.5201 kcal/mol (87209.8593 without restraints) Performing minimization step: 3132. Total energy = 87160.1333 kcal/mol (87153.4829 without restraints) Performing minimization step: 3133. Total energy = 87103.8337 kcal/mol (87097.1936 without restraints) Performing minimization step: 3134. Total energy = 87047.6213 kcal/mol (87040.9915 without restraints) Performing minimization step: 3135. Total energy = 86991.4959 kcal/mol (86984.8764 without restraints) Performing minimization step: 3136. Total energy = 86935.4573 kcal/mol (86928.8480 without restraints) Performing minimization step: 3137. Total energy = 86879.5053 kcal/mol (86872.9061 without restraints) Performing minimization step: 3138. Total energy = 86823.6396 kcal/mol (86817.0507 without restraints) Performing minimization step: 3139. Total energy = 86767.8603 kcal/mol (86761.2815 without restraints) Performing minimization step: 3140. Total energy = 86712.1667 kcal/mol (86705.5981 without restraints) Performing minimization step: 3141. Total energy = 86656.5589 kcal/mol (86650.0003 without restraints) Performing minimization step: 3142. Total energy = 86601.0366 kcal/mol (86594.4881 without restraints) Performing minimization step: 3143. Total energy = 86545.5996 kcal/mol (86539.0612 without restraints) Performing minimization step: 3144. Total energy = 86490.2478 kcal/mol (86483.7194 without restraints) Performing minimization step: 3145. Total energy = 86434.9811 kcal/mol (86428.4627 without restraints) Performing minimization step: 3146. Total energy = 86379.7989 kcal/mol (86373.2905 without restraints) Performing minimization step: 3147. Total energy = 86324.7012 kcal/mol (86318.2028 without restraints) Performing minimization step: 3148. Total energy = 86269.6878 kcal/mol (86263.1993 without restraints) Performing minimization step: 3149. Total energy = 86214.7585 kcal/mol (86208.2799 without restraints) Performing minimization step: 3150. Total energy = 86159.9131 kcal/mol (86153.4444 without restraints) Performing minimization step: 3151. Total energy = 86105.1520 kcal/mol (86098.6931 without restraints) Performing minimization step: 3152. Total energy = 86050.4737 kcal/mol (86044.0247 without restraints) Performing minimization step: 3153. Total energy = 85995.8787 kcal/mol (85989.4395 without restraints) Performing minimization step: 3154. Total energy = 85941.3668 kcal/mol (85934.9374 without restraints) Performing minimization step: 3155. Total energy = 85886.9378 kcal/mol (85880.5182 without restraints) Performing minimization step: 3156. Total energy = 85832.5914 kcal/mol (85826.1816 without restraints) Performing minimization step: 3157. Total energy = 85778.3276 kcal/mol (85771.9275 without restraints) Performing minimization step: 3158. Total energy = 85724.1464 kcal/mol (85717.7561 without restraints) Performing minimization step: 3159. Total energy = 85670.0470 kcal/mol (85663.6663 without restraints) Performing minimization step: 3160. Total energy = 85616.0292 kcal/mol (85609.6581 without restraints) Performing minimization step: 3161. Total energy = 85562.0933 kcal/mol (85555.7319 without restraints) Performing minimization step: 3162. Total energy = 85508.2389 kcal/mol (85501.8871 without restraints) Performing minimization step: 3163. Total energy = 85454.4663 kcal/mol (85448.1240 without restraints) Performing minimization step: 3164. Total energy = 85400.7742 kcal/mol (85394.4415 without restraints) Performing minimization step: 3165. Total energy = 85347.1631 kcal/mol (85340.8400 without restraints) Performing minimization step: 3166. Total energy = 85293.6327 kcal/mol (85287.3190 without restraints) Performing minimization step: 3167. Total energy = 85240.1825 kcal/mol (85233.8783 without restraints) Performing minimization step: 3168. Total energy = 85186.8129 kcal/mol (85180.5182 without restraints) Performing minimization step: 3169. Total energy = 85133.5236 kcal/mol (85127.2384 without restraints) Performing minimization step: 3170. Total energy = 85080.3141 kcal/mol (85074.0383 without restraints) Performing minimization step: 3171. Total energy = 85027.1843 kcal/mol (85020.9179 without restraints) Performing minimization step: 3172. Total energy = 84974.1340 kcal/mol (84967.8770 without restraints) Performing minimization step: 3173. Total energy = 84921.1631 kcal/mol (84914.9154 without restraints) Performing minimization step: 3174. Total energy = 84868.2715 kcal/mol (84862.0332 without restraints) Performing minimization step: 3175. Total energy = 84815.4588 kcal/mol (84809.2297 without restraints) Performing minimization step: 3176. Total energy = 84762.7248 kcal/mol (84756.5050 without restraints) Performing minimization step: 3177. Total energy = 84710.0699 kcal/mol (84703.8594 without restraints) Performing minimization step: 3178. Total energy = 84657.4931 kcal/mol (84651.2919 without restraints) Performing minimization step: 3179. Total energy = 84604.9945 kcal/mol (84598.8025 without restraints) Performing minimization step: 3180. Total energy = 84552.5737 kcal/mol (84546.3909 without restraints) Performing minimization step: 3181. Total energy = 84500.2310 kcal/mol (84494.0573 without restraints) Performing minimization step: 3182. Total energy = 84447.9657 kcal/mol (84441.8012 without restraints) Performing minimization step: 3183. Total energy = 84395.7778 kcal/mol (84389.6224 without restraints) Performing minimization step: 3184. Total energy = 84343.6672 kcal/mol (84337.5210 without restraints) Performing minimization step: 3185. Total energy = 84291.6337 kcal/mol (84285.4966 without restraints) Performing minimization step: 3186. Total energy = 84239.6771 kcal/mol (84233.5490 without restraints) Performing minimization step: 3187. Total energy = 84187.7973 kcal/mol (84181.6782 without restraints) Performing minimization step: 3188. Total energy = 84135.9940 kcal/mol (84129.8841 without restraints) Performing minimization step: 3189. Total energy = 84084.2671 kcal/mol (84078.1661 without restraints) Performing minimization step: 3190. Total energy = 84032.6164 kcal/mol (84026.5244 without restraints) Performing minimization step: 3191. Total energy = 83981.0416 kcal/mol (83974.9585 without restraints) Performing minimization step: 3192. Total energy = 83929.5426 kcal/mol (83923.4685 without restraints) Performing minimization step: 3193. Total energy = 83878.1192 kcal/mol (83872.0539 without restraints) Performing minimization step: 3194. Total energy = 83826.7714 kcal/mol (83820.7150 without restraints) Performing minimization step: 3195. Total energy = 83775.4988 kcal/mol (83769.4514 without restraints) Performing minimization step: 3196. Total energy = 83724.3012 kcal/mol (83718.2625 without restraints) Performing minimization step: 3197. Total energy = 83673.1783 kcal/mol (83667.1485 without restraints) Performing minimization step: 3198. Total energy = 83622.1302 kcal/mol (83616.1092 without restraints) Performing minimization step: 3199. Total energy = 83571.1566 kcal/mol (83565.1443 without restraints) Performing minimization step: 3200. Total energy = 83520.2573 kcal/mol (83514.2538 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3201. Total energy = 83469.4322 kcal/mol (83463.4375 without restraints) Performing minimization step: 3202. Total energy = 83418.6811 kcal/mol (83412.6951 without restraints) Performing minimization step: 3203. Total energy = 83368.0038 kcal/mol (83362.0265 without restraints) Performing minimization step: 3204. Total energy = 83317.4002 kcal/mol (83311.4315 without restraints) Performing minimization step: 3205. Total energy = 83266.8700 kcal/mol (83260.9100 without restraints) Performing minimization step: 3206. Total energy = 83216.4130 kcal/mol (83210.4617 without restraints) Performing minimization step: 3207. Total energy = 83166.0292 kcal/mol (83160.0865 without restraints) Performing minimization step: 3208. Total energy = 83115.7183 kcal/mol (83109.7842 without restraints) Performing minimization step: 3209. Total energy = 83065.4801 kcal/mol (83059.5546 without restraints) Performing minimization step: 3210. Total energy = 83015.3147 kcal/mol (83009.3978 without restraints) Performing minimization step: 3211. Total energy = 82965.2213 kcal/mol (82959.3129 without restraints) Performing minimization step: 3212. Total energy = 82915.2004 kcal/mol (82909.3005 without restraints) Performing minimization step: 3213. Total energy = 82865.2516 kcal/mol (82859.3602 without restraints) Performing minimization step: 3214. Total energy = 82815.3748 kcal/mol (82809.4919 without restraints) Performing minimization step: 3215. Total energy = 82765.5696 kcal/mol (82759.6951 without restraints) Performing minimization step: 3216. Total energy = 82715.8358 kcal/mol (82709.9698 without restraints) Performing minimization step: 3217. Total energy = 82666.1737 kcal/mol (82660.3160 without restraints) Performing minimization step: 3218. Total energy = 82616.5828 kcal/mol (82610.7335 without restraints) Performing minimization step: 3219. Total energy = 82567.0626 kcal/mol (82561.2218 without restraints) Performing minimization step: 3220. Total energy = 82517.6133 kcal/mol (82511.7808 without restraints) Performing minimization step: 3221. Total energy = 82468.2347 kcal/mol (82462.4104 without restraints) Performing minimization step: 3222. Total energy = 82418.9265 kcal/mol (82413.1107 without restraints) Performing minimization step: 3223. Total energy = 82369.6888 kcal/mol (82363.8813 without restraints) Performing minimization step: 3224. Total energy = 82320.5213 kcal/mol (82314.7220 without restraints) Performing minimization step: 3225. Total energy = 82271.4240 kcal/mol (82265.6329 without restraints) Performing minimization step: 3226. Total energy = 82222.3963 kcal/mol (82216.6135 without restraints) Performing minimization step: 3227. Total energy = 82173.4384 kcal/mol (82167.6638 without restraints) Performing minimization step: 3228. Total energy = 82124.5499 kcal/mol (82118.7835 without restraints) Performing minimization step: 3229. Total energy = 82075.7312 kcal/mol (82069.9729 without restraints) Performing minimization step: 3230. Total energy = 82026.9811 kcal/mol (82021.2311 without restraints) Performing minimization step: 3231. Total energy = 81978.3006 kcal/mol (81972.5587 without restraints) Performing minimization step: 3232. Total energy = 81929.6882 kcal/mol (81923.9544 without restraints) Performing minimization step: 3233. Total energy = 81881.1447 kcal/mol (81875.4190 without restraints) Performing minimization step: 3234. Total energy = 81832.6698 kcal/mol (81826.9521 without restraints) Performing minimization step: 3235. Total energy = 81784.2632 kcal/mol (81778.5536 without restraints) Performing minimization step: 3236. Total energy = 81735.9247 kcal/mol (81730.2232 without restraints) Performing minimization step: 3237. Total energy = 81687.6543 kcal/mol (81681.9608 without restraints) Performing minimization step: 3238. Total energy = 81639.4520 kcal/mol (81633.7665 without restraints) Performing minimization step: 3239. Total energy = 81591.3174 kcal/mol (81585.6399 without restraints) Performing minimization step: 3240. Total energy = 81543.2501 kcal/mol (81537.5806 without restraints) Performing minimization step: 3241. Total energy = 81495.2505 kcal/mol (81489.5888 without restraints) Performing minimization step: 3242. Total energy = 81447.3178 kcal/mol (81441.6640 without restraints) Performing minimization step: 3243. Total energy = 81399.4521 kcal/mol (81393.8063 without restraints) Performing minimization step: 3244. Total energy = 81351.6531 kcal/mol (81346.0152 without restraints) Performing minimization step: 3245. Total energy = 81303.9212 kcal/mol (81298.2911 without restraints) Performing minimization step: 3246. Total energy = 81256.2560 kcal/mol (81250.6338 without restraints) Performing minimization step: 3247. Total energy = 81208.6570 kcal/mol (81203.0426 without restraints) Performing minimization step: 3248. Total energy = 81161.1242 kcal/mol (81155.5177 without restraints) Performing minimization step: 3249. Total energy = 81113.6576 kcal/mol (81108.0588 without restraints) Performing minimization step: 3250. Total energy = 81066.2568 kcal/mol (81060.6658 without restraints) Performing minimization step: 3251. Total energy = 81018.9218 kcal/mol (81013.3385 without restraints) Performing minimization step: 3252. Total energy = 80971.6524 kcal/mol (80966.0769 without restraints) Performing minimization step: 3253. Total energy = 80924.4486 kcal/mol (80918.8808 without restraints) Performing minimization step: 3254. Total energy = 80877.3101 kcal/mol (80871.7500 without restraints) Performing minimization step: 3255. Total energy = 80830.2368 kcal/mol (80824.6844 without restraints) Performing minimization step: 3256. Total energy = 80783.2284 kcal/mol (80777.6837 without restraints) Performing minimization step: 3257. Total energy = 80736.2851 kcal/mol (80730.7480 without restraints) Performing minimization step: 3258. Total energy = 80689.4063 kcal/mol (80683.8768 without restraints) Performing minimization step: 3259. Total energy = 80642.5918 kcal/mol (80637.0700 without restraints) Performing minimization step: 3260. Total energy = 80595.8420 kcal/mol (80590.3277 without restraints) Performing minimization step: 3261. Total energy = 80549.1563 kcal/mol (80543.6496 without restraints) Performing minimization step: 3262. Total energy = 80502.5346 kcal/mol (80497.0354 without restraints) Performing minimization step: 3263. Total energy = 80455.9770 kcal/mol (80450.4854 without restraints) Performing minimization step: 3264. Total energy = 80409.4831 kcal/mol (80403.9990 without restraints) Performing minimization step: 3265. Total energy = 80363.0529 kcal/mol (80357.5763 without restraints) Performing minimization step: 3266. Total energy = 80316.6864 kcal/mol (80311.2173 without restraints) Performing minimization step: 3267. Total energy = 80270.3830 kcal/mol (80264.9214 without restraints) Performing minimization step: 3268. Total energy = 80224.1428 kcal/mol (80218.6886 without restraints) Performing minimization step: 3269. Total energy = 80177.9656 kcal/mol (80172.5189 without restraints) Performing minimization step: 3270. Total energy = 80131.8515 kcal/mol (80126.4121 without restraints) Performing minimization step: 3271. Total energy = 80085.7999 kcal/mol (80080.3679 without restraints) Performing minimization step: 3272. Total energy = 80039.8107 kcal/mol (80034.3861 without restraints) Performing minimization step: 3273. Total energy = 79993.8841 kcal/mol (79988.4669 without restraints) Performing minimization step: 3274. Total energy = 79948.0198 kcal/mol (79942.6099 without restraints) Performing minimization step: 3275. Total energy = 79902.2176 kcal/mol (79896.8151 without restraints) Performing minimization step: 3276. Total energy = 79856.4774 kcal/mol (79851.0822 without restraints) Performing minimization step: 3277. Total energy = 79810.7993 kcal/mol (79805.4114 without restraints) Performing minimization step: 3278. Total energy = 79765.1827 kcal/mol (79759.8020 without restraints) Performing minimization step: 3279. Total energy = 79719.6275 kcal/mol (79714.2541 without restraints) Performing minimization step: 3280. Total energy = 79674.1338 kcal/mol (79668.7677 without restraints) Performing minimization step: 3281. Total energy = 79628.7014 kcal/mol (79623.3424 without restraints) Performing minimization step: 3282. Total energy = 79583.3300 kcal/mol (79577.9783 without restraints) Performing minimization step: 3283. Total energy = 79538.0197 kcal/mol (79532.6751 without restraints) Performing minimization step: 3284. Total energy = 79492.7701 kcal/mol (79487.4327 without restraints) Performing minimization step: 3285. Total energy = 79447.5813 kcal/mol (79442.2510 without restraints) Performing minimization step: 3286. Total energy = 79402.4529 kcal/mol (79397.1298 without restraints) Performing minimization step: 3287. Total energy = 79357.3850 kcal/mol (79352.0690 without restraints) Performing minimization step: 3288. Total energy = 79312.3773 kcal/mol (79307.0684 without restraints) Performing minimization step: 3289. Total energy = 79267.4301 kcal/mol (79262.1284 without restraints) Performing minimization step: 3290. Total energy = 79222.5428 kcal/mol (79217.2481 without restraints) Performing minimization step: 3291. Total energy = 79177.7150 kcal/mol (79172.4273 without restraints) Performing minimization step: 3292. Total energy = 79132.9469 kcal/mol (79127.6663 without restraints) Performing minimization step: 3293. Total energy = 79088.2385 kcal/mol (79082.9649 without restraints) Performing minimization step: 3294. Total energy = 79043.5896 kcal/mol (79038.3230 without restraints) Performing minimization step: 3295. Total energy = 78998.9997 kcal/mol (78993.7400 without restraints) Performing minimization step: 3296. Total energy = 78954.4689 kcal/mol (78949.2163 without restraints) Performing minimization step: 3297. Total energy = 78909.9971 kcal/mol (78904.7514 without restraints) Performing minimization step: 3298. Total energy = 78865.5841 kcal/mol (78860.3453 without restraints) Performing minimization step: 3299. Total energy = 78821.2300 kcal/mol (78815.9982 without restraints) Performing minimization step: 3300. Total energy = 78776.9343 kcal/mol (78771.7094 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3301. Total energy = 78732.6971 kcal/mol (78727.4790 without restraints) Performing minimization step: 3302. Total energy = 78688.5179 kcal/mol (78683.3067 without restraints) Performing minimization step: 3303. Total energy = 78644.3971 kcal/mol (78639.1928 without restraints) Performing minimization step: 3304. Total energy = 78600.3343 kcal/mol (78595.1369 without restraints) Performing minimization step: 3305. Total energy = 78556.3296 kcal/mol (78551.1390 without restraints) Performing minimization step: 3306. Total energy = 78512.3825 kcal/mol (78507.1986 without restraints) Performing minimization step: 3307. Total energy = 78468.4929 kcal/mol (78463.3159 without restraints) Performing minimization step: 3308. Total energy = 78424.6610 kcal/mol (78419.4907 without restraints) Performing minimization step: 3309. Total energy = 78380.8863 kcal/mol (78375.7227 without restraints) Performing minimization step: 3310. Total energy = 78337.1687 kcal/mol (78332.0119 without restraints) Performing minimization step: 3311. Total energy = 78293.5083 kcal/mol (78288.3582 without restraints) Performing minimization step: 3312. Total energy = 78249.9047 kcal/mol (78244.7614 without restraints) Performing minimization step: 3313. Total energy = 78206.3579 kcal/mol (78201.2211 without restraints) Performing minimization step: 3314. Total energy = 78162.8677 kcal/mol (78157.7377 without restraints) Performing minimization step: 3315. Total energy = 78119.4342 kcal/mol (78114.3109 without restraints) Performing minimization step: 3316. Total energy = 78076.0571 kcal/mol (78070.9405 without restraints) Performing minimization step: 3317. Total energy = 78032.7364 kcal/mol (78027.6264 without restraints) Performing minimization step: 3318. Total energy = 77989.4718 kcal/mol (77984.3684 without restraints) Performing minimization step: 3319. Total energy = 77946.2631 kcal/mol (77941.1663 without restraints) Performing minimization step: 3320. Total energy = 77903.1104 kcal/mol (77898.0202 without restraints) Performing minimization step: 3321. Total energy = 77860.0134 kcal/mol (77854.9298 without restraints) Performing minimization step: 3322. Total energy = 77816.9721 kcal/mol (77811.8951 without restraints) Performing minimization step: 3323. Total energy = 77773.9862 kcal/mol (77768.9157 without restraints) Performing minimization step: 3324. Total energy = 77731.0556 kcal/mol (77725.9916 without restraints) Performing minimization step: 3325. Total energy = 77688.1802 kcal/mol (77683.1227 without restraints) Performing minimization step: 3326. Total energy = 77645.3599 kcal/mol (77640.3089 without restraints) Performing minimization step: 3327. Total energy = 77602.5947 kcal/mol (77597.5502 without restraints) Performing minimization step: 3328. Total energy = 77559.8842 kcal/mol (77554.8462 without restraints) Performing minimization step: 3329. Total energy = 77517.2285 kcal/mol (77512.1969 without restraints) Performing minimization step: 3330. Total energy = 77474.6273 kcal/mol (77469.6022 without restraints) Performing minimization step: 3331. Total energy = 77432.0806 kcal/mol (77427.0619 without restraints) Performing minimization step: 3332. Total energy = 77389.5880 kcal/mol (77384.5756 without restraints) Performing minimization step: 3333. Total energy = 77347.1499 kcal/mol (77342.1439 without restraints) Performing minimization step: 3334. Total energy = 77304.7658 kcal/mol (77299.7662 without restraints) Performing minimization step: 3335. Total energy = 77262.4357 kcal/mol (77257.4424 without restraints) Performing minimization step: 3336. Total energy = 77220.1593 kcal/mol (77215.1723 without restraints) Performing minimization step: 3337. Total energy = 77177.9364 kcal/mol (77172.9559 without restraints) Performing minimization step: 3338. Total energy = 77135.7674 kcal/mol (77130.7932 without restraints) Performing minimization step: 3339. Total energy = 77093.6519 kcal/mol (77088.6840 without restraints) Performing minimization step: 3340. Total energy = 77051.5897 kcal/mol (77046.6281 without restraints) Performing minimization step: 3341. Total energy = 77009.5807 kcal/mol (77004.6253 without restraints) Performing minimization step: 3342. Total energy = 76967.6248 kcal/mol (76962.6757 without restraints) Performing minimization step: 3343. Total energy = 76925.7223 kcal/mol (76920.7794 without restraints) Performing minimization step: 3344. Total energy = 76883.8722 kcal/mol (76878.9356 without restraints) Performing minimization step: 3345. Total energy = 76842.0748 kcal/mol (76837.1444 without restraints) Performing minimization step: 3346. Total energy = 76800.3300 kcal/mol (76795.4058 without restraints) Performing minimization step: 3347. Total energy = 76758.6376 kcal/mol (76753.7196 without restraints) Performing minimization step: 3348. Total energy = 76716.9976 kcal/mol (76712.0858 without restraints) Performing minimization step: 3349. Total energy = 76675.4101 kcal/mol (76670.5044 without restraints) Performing minimization step: 3350. Total energy = 76633.8745 kcal/mol (76628.9749 without restraints) Performing minimization step: 3351. Total energy = 76592.3908 kcal/mol (76587.4974 without restraints) Performing minimization step: 3352. Total energy = 76550.9592 kcal/mol (76546.0719 without restraints) Performing minimization step: 3353. Total energy = 76509.5792 kcal/mol (76504.6980 without restraints) Performing minimization step: 3354. Total energy = 76468.2510 kcal/mol (76463.3759 without restraints) Performing minimization step: 3355. Total energy = 76426.9741 kcal/mol (76422.1051 without restraints) Performing minimization step: 3356. Total energy = 76385.7486 kcal/mol (76380.8856 without restraints) Performing minimization step: 3357. Total energy = 76344.5745 kcal/mol (76339.7176 without restraints) Performing minimization step: 3358. Total energy = 76303.4515 kcal/mol (76298.6006 without restraints) Performing minimization step: 3359. Total energy = 76262.3797 kcal/mol (76257.5348 without restraints) Performing minimization step: 3360. Total energy = 76221.3583 kcal/mol (76216.5194 without restraints) Performing minimization step: 3361. Total energy = 76180.3879 kcal/mol (76175.5550 without restraints) Performing minimization step: 3362. Total energy = 76139.4682 kcal/mol (76134.6413 without restraints) Performing minimization step: 3363. Total energy = 76098.5991 kcal/mol (76093.7781 without restraints) Performing minimization step: 3364. Total energy = 76057.7805 kcal/mol (76052.9656 without restraints) Performing minimization step: 3365. Total energy = 76017.0123 kcal/mol (76012.2033 without restraints) Performing minimization step: 3366. Total energy = 75976.2940 kcal/mol (75971.4908 without restraints) Performing minimization step: 3367. Total energy = 75935.6260 kcal/mol (75930.8288 without restraints) Performing minimization step: 3368. Total energy = 75895.0083 kcal/mol (75890.2169 without restraints) Performing minimization step: 3369. Total energy = 75854.4401 kcal/mol (75849.6547 without restraints) Performing minimization step: 3370. Total energy = 75813.9220 kcal/mol (75809.1424 without restraints) Performing minimization step: 3371. Total energy = 75773.4533 kcal/mol (75768.6795 without restraints) Performing minimization step: 3372. Total energy = 75733.0341 kcal/mol (75728.2662 without restraints) Performing minimization step: 3373. Total energy = 75692.6643 kcal/mol (75687.9022 without restraints) Performing minimization step: 3374. Total energy = 75652.3439 kcal/mol (75647.5876 without restraints) Performing minimization step: 3375. Total energy = 75612.0727 kcal/mol (75607.3223 without restraints) Performing minimization step: 3376. Total energy = 75571.8506 kcal/mol (75567.1059 without restraints) Performing minimization step: 3377. Total energy = 75531.6774 kcal/mol (75526.9385 without restraints) Performing minimization step: 3378. Total energy = 75491.5528 kcal/mol (75486.8196 without restraints) Performing minimization step: 3379. Total energy = 75451.4771 kcal/mol (75446.7497 without restraints) Performing minimization step: 3380. Total energy = 75411.4501 kcal/mol (75406.7285 without restraints) Performing minimization step: 3381. Total energy = 75371.4716 kcal/mol (75366.7557 without restraints) Performing minimization step: 3382. Total energy = 75331.5416 kcal/mol (75326.8313 without restraints) Performing minimization step: 3383. Total energy = 75291.6598 kcal/mol (75286.9552 without restraints) Performing minimization step: 3384. Total energy = 75251.8262 kcal/mol (75247.1273 without restraints) Performing minimization step: 3385. Total energy = 75212.0407 kcal/mol (75207.3475 without restraints) Performing minimization step: 3386. Total energy = 75172.3032 kcal/mol (75167.6156 without restraints) Performing minimization step: 3387. Total energy = 75132.6135 kcal/mol (75127.9316 without restraints) Performing minimization step: 3388. Total energy = 75092.9715 kcal/mol (75088.2953 without restraints) Performing minimization step: 3389. Total energy = 75053.3773 kcal/mol (75048.7066 without restraints) Performing minimization step: 3390. Total energy = 75013.8305 kcal/mol (75009.1654 without restraints) Performing minimization step: 3391. Total energy = 74974.3312 kcal/mol (74969.6717 without restraints) Performing minimization step: 3392. Total energy = 74934.8792 kcal/mol (74930.2253 without restraints) Performing minimization step: 3393. Total energy = 74895.4744 kcal/mol (74890.8261 without restraints) Performing minimization step: 3394. Total energy = 74856.1167 kcal/mol (74851.4739 without restraints) Performing minimization step: 3395. Total energy = 74816.8060 kcal/mol (74812.1688 without restraints) Performing minimization step: 3396. Total energy = 74777.5422 kcal/mol (74772.9105 without restraints) Performing minimization step: 3397. Total energy = 74738.3252 kcal/mol (74733.6990 without restraints) Performing minimization step: 3398. Total energy = 74699.1546 kcal/mol (74694.5339 without restraints) Performing minimization step: 3399. Total energy = 74660.0308 kcal/mol (74655.4157 without restraints) Performing minimization step: 3400. Total energy = 74620.9535 kcal/mol (74616.3438 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3401. Total energy = 74581.9226 kcal/mol (74577.3183 without restraints) Performing minimization step: 3402. Total energy = 74542.9379 kcal/mol (74538.3391 without restraints) Performing minimization step: 3403. Total energy = 74503.9993 kcal/mol (74499.4060 without restraints) Performing minimization step: 3404. Total energy = 74465.1069 kcal/mol (74460.5189 without restraints) Performing minimization step: 3405. Total energy = 74426.2605 kcal/mol (74421.6780 without restraints) Performing minimization step: 3406. Total energy = 74387.4598 kcal/mol (74382.8827 without restraints) Performing minimization step: 3407. Total energy = 74348.7049 kcal/mol (74344.1332 without restraints) Performing minimization step: 3408. Total energy = 74309.9953 kcal/mol (74305.4290 without restraints) Performing minimization step: 3409. Total energy = 74271.3315 kcal/mol (74266.7705 without restraints) Performing minimization step: 3410. Total energy = 74232.7131 kcal/mol (74228.1575 without restraints) Performing minimization step: 3411. Total energy = 74194.1401 kcal/mol (74189.5898 without restraints) Performing minimization step: 3412. Total energy = 74155.6123 kcal/mol (74151.0674 without restraints) Performing minimization step: 3413. Total energy = 74117.1297 kcal/mol (74112.5901 without restraints) Performing minimization step: 3414. Total energy = 74078.6918 kcal/mol (74074.1575 without restraints) Performing minimization step: 3415. Total energy = 74040.2991 kcal/mol (74035.7701 without restraints) Performing minimization step: 3416. Total energy = 74001.9511 kcal/mol (73997.4274 without restraints) Performing minimization step: 3417. Total energy = 73963.6479 kcal/mol (73959.1294 without restraints) Performing minimization step: 3418. Total energy = 73925.3893 kcal/mol (73920.8761 without restraints) Performing minimization step: 3419. Total energy = 73887.1754 kcal/mol (73882.6674 without restraints) Performing minimization step: 3420. Total energy = 73849.0059 kcal/mol (73844.5032 without restraints) Performing minimization step: 3421. Total energy = 73810.8805 kcal/mol (73806.3830 without restraints) Performing minimization step: 3422. Total energy = 73772.7994 kcal/mol (73768.3073 without restraints) Performing minimization step: 3423. Total energy = 73734.7625 kcal/mol (73730.2754 without restraints) Performing minimization step: 3424. Total energy = 73696.7695 kcal/mol (73692.2876 without restraints) Performing minimization step: 3425. Total energy = 73658.8204 kcal/mol (73654.3437 without restraints) Performing minimization step: 3426. Total energy = 73620.9151 kcal/mol (73616.4436 without restraints) Performing minimization step: 3427. Total energy = 73583.0536 kcal/mol (73578.5872 without restraints) Performing minimization step: 3428. Total energy = 73545.2356 kcal/mol (73540.7744 without restraints) Performing minimization step: 3429. Total energy = 73507.4612 kcal/mol (73503.0051 without restraints) Performing minimization step: 3430. Total energy = 73469.7303 kcal/mol (73465.2793 without restraints) Performing minimization step: 3431. Total energy = 73432.0427 kcal/mol (73427.5968 without restraints) Performing minimization step: 3432. Total energy = 73394.3985 kcal/mol (73389.9577 without restraints) Performing minimization step: 3433. Total energy = 73356.7973 kcal/mol (73352.3616 without restraints) Performing minimization step: 3434. Total energy = 73319.2392 kcal/mol (73314.8086 without restraints) Performing minimization step: 3435. Total energy = 73281.7238 kcal/mol (73277.2982 without restraints) Performing minimization step: 3436. Total energy = 73244.2514 kcal/mol (73239.8309 without restraints) Performing minimization step: 3437. Total energy = 73206.8218 kcal/mol (73202.4063 without restraints) Performing minimization step: 3438. Total energy = 73169.4347 kcal/mol (73165.0244 without restraints) Performing minimization step: 3439. Total energy = 73132.0906 kcal/mol (73127.6853 without restraints) Performing minimization step: 3440. Total energy = 73094.7888 kcal/mol (73090.3884 without restraints) Performing minimization step: 3441. Total energy = 73057.5293 kcal/mol (73053.1339 without restraints) Performing minimization step: 3442. Total energy = 73020.3121 kcal/mol (73015.9217 without restraints) Performing minimization step: 3443. Total energy = 72983.1371 kcal/mol (72978.7516 without restraints) Performing minimization step: 3444. Total energy = 72946.0040 kcal/mol (72941.6235 without restraints) Performing minimization step: 3445. Total energy = 72908.9130 kcal/mol (72904.5375 without restraints) Performing minimization step: 3446. Total energy = 72871.8640 kcal/mol (72867.4934 without restraints) Performing minimization step: 3447. Total energy = 72834.8568 kcal/mol (72830.4912 without restraints) Performing minimization step: 3448. Total energy = 72797.8914 kcal/mol (72793.5307 without restraints) Performing minimization step: 3449. Total energy = 72760.9678 kcal/mol (72756.6120 without restraints) Performing minimization step: 3450. Total energy = 72724.0853 kcal/mol (72719.7344 without restraints) Performing minimization step: 3451. Total energy = 72687.2445 kcal/mol (72682.8985 without restraints) Performing minimization step: 3452. Total energy = 72650.4451 kcal/mol (72646.1039 without restraints) Performing minimization step: 3453. Total energy = 72613.6869 kcal/mol (72609.3506 without restraints) Performing minimization step: 3454. Total energy = 72576.9701 kcal/mol (72572.6387 without restraints) Performing minimization step: 3455. Total energy = 72540.2942 kcal/mol (72535.9676 without restraints) Performing minimization step: 3456. Total energy = 72503.6593 kcal/mol (72499.3376 without restraints) Performing minimization step: 3457. Total energy = 72467.0653 kcal/mol (72462.7484 without restraints) Performing minimization step: 3458. Total energy = 72430.5123 kcal/mol (72426.2003 without restraints) Performing minimization step: 3459. Total energy = 72394.0001 kcal/mol (72389.6929 without restraints) Performing minimization step: 3460. Total energy = 72357.5285 kcal/mol (72353.2261 without restraints) Performing minimization step: 3461. Total energy = 72321.0974 kcal/mol (72316.7997 without restraints) Performing minimization step: 3462. Total energy = 72284.7064 kcal/mol (72280.4134 without restraints) Performing minimization step: 3463. Total energy = 72248.3560 kcal/mol (72244.0677 without restraints) Performing minimization step: 3464. Total energy = 72212.0458 kcal/mol (72207.7624 without restraints) Performing minimization step: 3465. Total energy = 72175.7761 kcal/mol (72171.4974 without restraints) Performing minimization step: 3466. Total energy = 72139.5463 kcal/mol (72135.2723 without restraints) Performing minimization step: 3467. Total energy = 72103.3565 kcal/mol (72099.0873 without restraints) Performing minimization step: 3468. Total energy = 72067.2067 kcal/mol (72062.9421 without restraints) Performing minimization step: 3469. Total energy = 72031.0967 kcal/mol (72026.8368 without restraints) Performing minimization step: 3470. Total energy = 71995.0264 kcal/mol (71990.7713 without restraints) Performing minimization step: 3471. Total energy = 71958.9959 kcal/mol (71954.7454 without restraints) Performing minimization step: 3472. Total energy = 71923.0047 kcal/mol (71918.7589 without restraints) Performing minimization step: 3473. Total energy = 71887.0532 kcal/mol (71882.8121 without restraints) Performing minimization step: 3474. Total energy = 71851.1412 kcal/mol (71846.9047 without restraints) Performing minimization step: 3475. Total energy = 71815.2684 kcal/mol (71811.0366 without restraints) Performing minimization step: 3476. Total energy = 71779.4350 kcal/mol (71775.2077 without restraints) Performing minimization step: 3477. Total energy = 71743.6406 kcal/mol (71739.4180 without restraints) Performing minimization step: 3478. Total energy = 71707.8856 kcal/mol (71703.6676 without restraints) Performing minimization step: 3479. Total energy = 71672.1694 kcal/mol (71667.9560 without restraints) Performing minimization step: 3480. Total energy = 71636.4921 kcal/mol (71632.2832 without restraints) Performing minimization step: 3481. Total energy = 71600.8537 kcal/mol (71596.6495 without restraints) Performing minimization step: 3482. Total energy = 71565.2539 kcal/mol (71561.0542 without restraints) Performing minimization step: 3483. Total energy = 71529.6928 kcal/mol (71525.4976 without restraints) Performing minimization step: 3484. Total energy = 71494.1702 kcal/mol (71489.9796 without restraints) Performing minimization step: 3485. Total energy = 71458.6862 kcal/mol (71454.5002 without restraints) Performing minimization step: 3486. Total energy = 71423.2404 kcal/mol (71419.0588 without restraints) Performing minimization step: 3487. Total energy = 71387.8330 kcal/mol (71383.6560 without restraints) Performing minimization step: 3488. Total energy = 71352.4638 kcal/mol (71348.2913 without restraints) Performing minimization step: 3489. Total energy = 71317.1329 kcal/mol (71312.9649 without restraints) Performing minimization step: 3490. Total energy = 71281.8400 kcal/mol (71277.6764 without restraints) Performing minimization step: 3491. Total energy = 71246.5851 kcal/mol (71242.4260 without restraints) Performing minimization step: 3492. Total energy = 71211.3681 kcal/mol (71207.2135 without restraints) Performing minimization step: 3493. Total energy = 71176.1892 kcal/mol (71172.0391 without restraints) Performing minimization step: 3494. Total energy = 71141.0478 kcal/mol (71136.9021 without restraints) Performing minimization step: 3495. Total energy = 71105.9439 kcal/mol (71101.8026 without restraints) Performing minimization step: 3496. Total energy = 71070.8776 kcal/mol (71066.7409 without restraints) Performing minimization step: 3497. Total energy = 71035.8490 kcal/mol (71031.7166 without restraints) Performing minimization step: 3498. Total energy = 71000.8575 kcal/mol (70996.7296 without restraints) Performing minimization step: 3499. Total energy = 70965.9036 kcal/mol (70961.7801 without restraints) Performing minimization step: 3500. Total energy = 70930.9870 kcal/mol (70926.8678 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3501. Total energy = 70896.1075 kcal/mol (70891.9928 without restraints) Performing minimization step: 3502. Total energy = 70861.2652 kcal/mol (70857.1548 without restraints) Performing minimization step: 3503. Total energy = 70826.4598 kcal/mol (70822.3538 without restraints) Performing minimization step: 3504. Total energy = 70791.6915 kcal/mol (70787.5898 without restraints) Performing minimization step: 3505. Total energy = 70756.9599 kcal/mol (70752.8626 without restraints) Performing minimization step: 3506. Total energy = 70722.2652 kcal/mol (70718.1723 without restraints) Performing minimization step: 3507. Total energy = 70687.6072 kcal/mol (70683.5186 without restraints) Performing minimization step: 3508. Total energy = 70652.9859 kcal/mol (70648.9017 without restraints) Performing minimization step: 3509. Total energy = 70618.4012 kcal/mol (70614.3212 without restraints) Performing minimization step: 3510. Total energy = 70583.8528 kcal/mol (70579.7771 without restraints) Performing minimization step: 3511. Total energy = 70549.3408 kcal/mol (70545.2694 without restraints) Performing minimization step: 3512. Total energy = 70514.8652 kcal/mol (70510.7980 without restraints) Performing minimization step: 3513. Total energy = 70480.4258 kcal/mol (70476.3629 without restraints) Performing minimization step: 3514. Total energy = 70446.0226 kcal/mol (70441.9640 without restraints) Performing minimization step: 3515. Total energy = 70411.6554 kcal/mol (70407.6011 without restraints) Performing minimization step: 3516. Total energy = 70377.3243 kcal/mol (70373.2742 without restraints) Performing minimization step: 3517. Total energy = 70343.0289 kcal/mol (70338.9830 without restraints) Performing minimization step: 3518. Total energy = 70308.7696 kcal/mol (70304.7279 without restraints) Performing minimization step: 3519. Total energy = 70274.5460 kcal/mol (70270.5086 without restraints) Performing minimization step: 3520. Total energy = 70240.3582 kcal/mol (70236.3249 without restraints) Performing minimization step: 3521. Total energy = 70206.2057 kcal/mol (70202.1767 without restraints) Performing minimization step: 3522. Total energy = 70172.0890 kcal/mol (70168.0642 without restraints) Performing minimization step: 3523. Total energy = 70138.0078 kcal/mol (70133.9872 without restraints) Performing minimization step: 3524. Total energy = 70103.9621 kcal/mol (70099.9456 without restraints) Performing minimization step: 3525. Total energy = 70069.9516 kcal/mol (70065.9393 without restraints) Performing minimization step: 3526. Total energy = 70035.9765 kcal/mol (70031.9683 without restraints) Performing minimization step: 3527. Total energy = 70002.0365 kcal/mol (69998.0325 without restraints) Performing minimization step: 3528. Total energy = 69968.1318 kcal/mol (69964.1320 without restraints) Performing minimization step: 3529. Total energy = 69934.2620 kcal/mol (69930.2662 without restraints) Performing minimization step: 3530. Total energy = 69900.4271 kcal/mol (69896.4355 without restraints) Performing minimization step: 3531. Total energy = 69866.6271 kcal/mol (69862.6396 without restraints) Performing minimization step: 3532. Total energy = 69832.8620 kcal/mol (69828.8786 without restraints) Performing minimization step: 3533. Total energy = 69799.1315 kcal/mol (69795.1523 without restraints) Performing minimization step: 3534. Total energy = 69765.4358 kcal/mol (69761.4606 without restraints) Performing minimization step: 3535. Total energy = 69731.7746 kcal/mol (69727.8035 without restraints) Performing minimization step: 3536. Total energy = 69698.1480 kcal/mol (69694.1809 without restraints) Performing minimization step: 3537. Total energy = 69664.5559 kcal/mol (69660.5929 without restraints) Performing minimization step: 3538. Total energy = 69630.9981 kcal/mol (69627.0392 without restraints) Performing minimization step: 3539. Total energy = 69597.4747 kcal/mol (69593.5198 without restraints) Performing minimization step: 3540. Total energy = 69563.9854 kcal/mol (69560.0346 without restraints) Performing minimization step: 3541. Total energy = 69530.5304 kcal/mol (69526.5836 without restraints) Performing minimization step: 3542. Total energy = 69497.1092 kcal/mol (69493.1664 without restraints) Performing minimization step: 3543. Total energy = 69463.7223 kcal/mol (69459.7835 without restraints) Performing minimization step: 3544. Total energy = 69430.3693 kcal/mol (69426.4345 without restraints) Performing minimization step: 3545. Total energy = 69397.0502 kcal/mol (69393.1194 without restraints) Performing minimization step: 3546. Total energy = 69363.7649 kcal/mol (69359.8381 without restraints) Performing minimization step: 3547. Total energy = 69330.5131 kcal/mol (69326.5903 without restraints) Performing minimization step: 3548. Total energy = 69297.2953 kcal/mol (69293.3764 without restraints) Performing minimization step: 3549. Total energy = 69264.1110 kcal/mol (69260.1961 without restraints) Performing minimization step: 3550. Total energy = 69230.9602 kcal/mol (69227.0493 without restraints) Performing minimization step: 3551. Total energy = 69197.8432 kcal/mol (69193.9363 without restraints) Performing minimization step: 3552. Total energy = 69164.7594 kcal/mol (69160.8563 without restraints) Performing minimization step: 3553. Total energy = 69131.7087 kcal/mol (69127.8095 without restraints) Performing minimization step: 3554. Total energy = 69098.6913 kcal/mol (69094.7961 without restraints) Performing minimization step: 3555. Total energy = 69065.7072 kcal/mol (69061.8159 without restraints) Performing minimization step: 3556. Total energy = 69032.7563 kcal/mol (69028.8689 without restraints) Performing minimization step: 3557. Total energy = 68999.8382 kcal/mol (68995.9547 without restraints) Performing minimization step: 3558. Total energy = 68966.9533 kcal/mol (68963.0737 without restraints) Performing minimization step: 3559. Total energy = 68934.1013 kcal/mol (68930.2256 without restraints) Performing minimization step: 3560. Total energy = 68901.2821 kcal/mol (68897.4103 without restraints) Performing minimization step: 3561. Total energy = 68868.4956 kcal/mol (68864.6276 without restraints) Performing minimization step: 3562. Total energy = 68835.7420 kcal/mol (68831.8778 without restraints) Performing minimization step: 3563. Total energy = 68803.0209 kcal/mol (68799.1607 without restraints) Performing minimization step: 3564. Total energy = 68770.3325 kcal/mol (68766.4761 without restraints) Performing minimization step: 3565. Total energy = 68737.6766 kcal/mol (68733.8240 without restraints) Performing minimization step: 3566. Total energy = 68705.0531 kcal/mol (68701.2044 without restraints) Performing minimization step: 3567. Total energy = 68672.4621 kcal/mol (68668.6171 without restraints) Performing minimization step: 3568. Total energy = 68639.9033 kcal/mol (68636.0622 without restraints) Performing minimization step: 3569. Total energy = 68607.3768 kcal/mol (68603.5395 without restraints) Performing minimization step: 3570. Total energy = 68574.8822 kcal/mol (68571.0487 without restraints) Performing minimization step: 3571. Total energy = 68542.4198 kcal/mol (68538.5900 without restraints) Performing minimization step: 3572. Total energy = 68509.9896 kcal/mol (68506.1637 without restraints) Performing minimization step: 3573. Total energy = 68477.5912 kcal/mol (68473.7690 without restraints) Performing minimization step: 3574. Total energy = 68445.2250 kcal/mol (68441.4065 without restraints) Performing minimization step: 3575. Total energy = 68412.8905 kcal/mol (68409.0757 without restraints) Performing minimization step: 3576. Total energy = 68380.5878 kcal/mol (68376.7768 without restraints) Performing minimization step: 3577. Total energy = 68348.3169 kcal/mol (68344.5097 without restraints) Performing minimization step: 3578. Total energy = 68316.0777 kcal/mol (68312.2742 without restraints) Performing minimization step: 3579. Total energy = 68283.8700 kcal/mol (68280.0703 without restraints) Performing minimization step: 3580. Total energy = 68251.6939 kcal/mol (68247.8979 without restraints) Performing minimization step: 3581. Total energy = 68219.5491 kcal/mol (68215.7568 without restraints) Performing minimization step: 3582. Total energy = 68187.4359 kcal/mol (68183.6473 without restraints) Performing minimization step: 3583. Total energy = 68155.3541 kcal/mol (68151.5692 without restraints) Performing minimization step: 3584. Total energy = 68123.3035 kcal/mol (68119.5223 without restraints) Performing minimization step: 3585. Total energy = 68091.2841 kcal/mol (68087.5066 without restraints) Performing minimization step: 3586. Total energy = 68059.2958 kcal/mol (68055.5219 without restraints) Performing minimization step: 3587. Total energy = 68027.3385 kcal/mol (68023.5683 without restraints) Performing minimization step: 3588. Total energy = 67995.4125 kcal/mol (67991.6461 without restraints) Performing minimization step: 3589. Total energy = 67963.5177 kcal/mol (67959.7548 without restraints) Performing minimization step: 3590. Total energy = 67931.6535 kcal/mol (67927.8943 without restraints) Performing minimization step: 3591. Total energy = 67899.8202 kcal/mol (67896.0646 without restraints) Performing minimization step: 3592. Total energy = 67868.0173 kcal/mol (67864.2654 without restraints) Performing minimization step: 3593. Total energy = 67836.2455 kcal/mol (67832.4971 without restraints) Performing minimization step: 3594. Total energy = 67804.5043 kcal/mol (67800.7595 without restraints) Performing minimization step: 3595. Total energy = 67772.7937 kcal/mol (67769.0525 without restraints) Performing minimization step: 3596. Total energy = 67741.1136 kcal/mol (67737.3761 without restraints) Performing minimization step: 3597. Total energy = 67709.4642 kcal/mol (67705.7303 without restraints) Performing minimization step: 3598. Total energy = 67677.8453 kcal/mol (67674.1149 without restraints) Performing minimization step: 3599. Total energy = 67646.2567 kcal/mol (67642.5299 without restraints) Performing minimization step: 3600. Total energy = 67614.6981 kcal/mol (67610.9749 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3601. Total energy = 67583.1698 kcal/mol (67579.4502 without restraints) Performing minimization step: 3602. Total energy = 67551.6717 kcal/mol (67547.9556 without restraints) Performing minimization step: 3603. Total energy = 67520.2036 kcal/mol (67516.4911 without restraints) Performing minimization step: 3604. Total energy = 67488.7656 kcal/mol (67485.0566 without restraints) Performing minimization step: 3605. Total energy = 67457.3576 kcal/mol (67453.6522 without restraints) Performing minimization step: 3606. Total energy = 67425.9795 kcal/mol (67422.2776 without restraints) Performing minimization step: 3607. Total energy = 67394.6314 kcal/mol (67390.9331 without restraints) Performing minimization step: 3608. Total energy = 67363.3132 kcal/mol (67359.6183 without restraints) Performing minimization step: 3609. Total energy = 67332.0245 kcal/mol (67328.3332 without restraints) Performing minimization step: 3610. Total energy = 67300.7656 kcal/mol (67297.0778 without restraints) Performing minimization step: 3611. Total energy = 67269.5364 kcal/mol (67265.8520 without restraints) Performing minimization step: 3612. Total energy = 67238.3367 kcal/mol (67234.6558 without restraints) Performing minimization step: 3613. Total energy = 67207.1665 kcal/mol (67203.4891 without restraints) Performing minimization step: 3614. Total energy = 67176.0258 kcal/mol (67172.3519 without restraints) Performing minimization step: 3615. Total energy = 67144.9145 kcal/mol (67141.2440 without restraints) Performing minimization step: 3616. Total energy = 67113.8326 kcal/mol (67110.1657 without restraints) Performing minimization step: 3617. Total energy = 67082.7802 kcal/mol (67079.1167 without restraints) Performing minimization step: 3618. Total energy = 67051.7568 kcal/mol (67048.0967 without restraints) Performing minimization step: 3619. Total energy = 67020.7623 kcal/mol (67017.1056 without restraints) Performing minimization step: 3620. Total energy = 66989.7971 kcal/mol (66986.1439 without restraints) Performing minimization step: 3621. Total energy = 66958.8610 kcal/mol (66955.2112 without restraints) Performing minimization step: 3622. Total energy = 66927.9541 kcal/mol (66924.3078 without restraints) Performing minimization step: 3623. Total energy = 66897.0760 kcal/mol (66893.4330 without restraints) Performing minimization step: 3624. Total energy = 66866.2267 kcal/mol (66862.5872 without restraints) Performing minimization step: 3625. Total energy = 66835.4063 kcal/mol (66831.7701 without restraints) Performing minimization step: 3626. Total energy = 66804.6146 kcal/mol (66800.9819 without restraints) Performing minimization step: 3627. Total energy = 66773.8517 kcal/mol (66770.2223 without restraints) Performing minimization step: 3628. Total energy = 66743.1174 kcal/mol (66739.4914 without restraints) Performing minimization step: 3629. Total energy = 66712.4117 kcal/mol (66708.7891 without restraints) Performing minimization step: 3630. Total energy = 66681.7345 kcal/mol (66678.1153 without restraints) Performing minimization step: 3631. Total energy = 66651.0860 kcal/mol (66647.4703 without restraints) Performing minimization step: 3632. Total energy = 66620.4660 kcal/mol (66616.8535 without restraints) Performing minimization step: 3633. Total energy = 66589.8742 kcal/mol (66586.2650 without restraints) Performing minimization step: 3634. Total energy = 66559.3107 kcal/mol (66555.7049 without restraints) Performing minimization step: 3635. Total energy = 66528.7756 kcal/mol (66525.1730 without restraints) Performing minimization step: 3636. Total energy = 66498.2686 kcal/mol (66494.6694 without restraints) Performing minimization step: 3637. Total energy = 66467.7897 kcal/mol (66464.1939 without restraints) Performing minimization step: 3638. Total energy = 66437.3390 kcal/mol (66433.7465 without restraints) Performing minimization step: 3639. Total energy = 66406.9164 kcal/mol (66403.3271 without restraints) Performing minimization step: 3640. Total energy = 66376.5217 kcal/mol (66372.9358 without restraints) Performing minimization step: 3641. Total energy = 66346.1550 kcal/mol (66342.5724 without restraints) Performing minimization step: 3642. Total energy = 66315.8162 kcal/mol (66312.2368 without restraints) Performing minimization step: 3643. Total energy = 66285.5052 kcal/mol (66281.9291 without restraints) Performing minimization step: 3644. Total energy = 66255.2220 kcal/mol (66251.6492 without restraints) Performing minimization step: 3645. Total energy = 66224.9668 kcal/mol (66221.3973 without restraints) Performing minimization step: 3646. Total energy = 66194.7391 kcal/mol (66191.1728 without restraints) Performing minimization step: 3647. Total energy = 66164.5390 kcal/mol (66160.9761 without restraints) Performing minimization step: 3648. Total energy = 66134.3667 kcal/mol (66130.8070 without restraints) Performing minimization step: 3649. Total energy = 66104.2217 kcal/mol (66100.6652 without restraints) Performing minimization step: 3650. Total energy = 66074.1041 kcal/mol (66070.5508 without restraints) Performing minimization step: 3651. Total energy = 66044.0139 kcal/mol (66040.4639 without restraints) Performing minimization step: 3652. Total energy = 66013.9510 kcal/mol (66010.4042 without restraints) Performing minimization step: 3653. Total energy = 65983.9156 kcal/mol (65980.3721 without restraints) Performing minimization step: 3654. Total energy = 65953.9072 kcal/mol (65950.3668 without restraints) Performing minimization step: 3655. Total energy = 65923.9262 kcal/mol (65920.3890 without restraints) Performing minimization step: 3656. Total energy = 65893.9722 kcal/mol (65890.4383 without restraints) Performing minimization step: 3657. Total energy = 65864.0454 kcal/mol (65860.5146 without restraints) Performing minimization step: 3658. Total energy = 65834.1456 kcal/mol (65830.6181 without restraints) Performing minimization step: 3659. Total energy = 65804.2729 kcal/mol (65800.7485 without restraints) Performing minimization step: 3660. Total energy = 65774.4270 kcal/mol (65770.9058 without restraints) Performing minimization step: 3661. Total energy = 65744.6081 kcal/mol (65741.0901 without restraints) Performing minimization step: 3662. Total energy = 65714.8161 kcal/mol (65711.3012 without restraints) Performing minimization step: 3663. Total energy = 65685.0509 kcal/mol (65681.5392 without restraints) Performing minimization step: 3664. Total energy = 65655.3124 kcal/mol (65651.8038 without restraints) Performing minimization step: 3665. Total energy = 65625.6007 kcal/mol (65622.0953 without restraints) Performing minimization step: 3666. Total energy = 65595.9156 kcal/mol (65592.4133 without restraints) Performing minimization step: 3667. Total energy = 65566.2570 kcal/mol (65562.7579 without restraints) Performing minimization step: 3668. Total energy = 65536.6250 kcal/mol (65533.1290 without restraints) Performing minimization step: 3669. Total energy = 65507.0193 kcal/mol (65503.5264 without restraints) Performing minimization step: 3670. Total energy = 65477.4405 kcal/mol (65473.9507 without restraints) Performing minimization step: 3671. Total energy = 65447.8878 kcal/mol (65444.4011 without restraints) Performing minimization step: 3672. Total energy = 65418.3615 kcal/mol (65414.8779 without restraints) Performing minimization step: 3673. Total energy = 65388.8618 kcal/mol (65385.3814 without restraints) Performing minimization step: 3674. Total energy = 65359.3881 kcal/mol (65355.9108 without restraints) Performing minimization step: 3675. Total energy = 65329.9405 kcal/mol (65326.4663 without restraints) Performing minimization step: 3676. Total energy = 65300.5195 kcal/mol (65297.0483 without restraints) Performing minimization step: 3677. Total energy = 65271.1241 kcal/mol (65267.6560 without restraints) Performing minimization step: 3678. Total energy = 65241.7548 kcal/mol (65238.2898 without restraints) Performing minimization step: 3679. Total energy = 65212.4116 kcal/mol (65208.9496 without restraints) Performing minimization step: 3680. Total energy = 65183.0942 kcal/mol (65179.6353 without restraints) Performing minimization step: 3681. Total energy = 65153.8029 kcal/mol (65150.3472 without restraints) Performing minimization step: 3682. Total energy = 65124.5374 kcal/mol (65121.0846 without restraints) Performing minimization step: 3683. Total energy = 65095.2976 kcal/mol (65091.8479 without restraints) Performing minimization step: 3684. Total energy = 65066.0839 kcal/mol (65062.6371 without restraints) Performing minimization step: 3685. Total energy = 65036.8955 kcal/mol (65033.4518 without restraints) Performing minimization step: 3686. Total energy = 65007.7329 kcal/mol (65004.2922 without restraints) Performing minimization step: 3687. Total energy = 64978.5961 kcal/mol (64975.1585 without restraints) Performing minimization step: 3688. Total energy = 64949.4847 kcal/mol (64946.0501 without restraints) Performing minimization step: 3689. Total energy = 64920.3988 kcal/mol (64916.9671 without restraints) Performing minimization step: 3690. Total energy = 64891.3385 kcal/mol (64887.9099 without restraints) Performing minimization step: 3691. Total energy = 64862.3035 kcal/mol (64858.8779 without restraints) Performing minimization step: 3692. Total energy = 64833.2938 kcal/mol (64829.8712 without restraints) Performing minimization step: 3693. Total energy = 64804.3095 kcal/mol (64800.8899 without restraints) Performing minimization step: 3694. Total energy = 64775.3503 kcal/mol (64771.9336 without restraints) Performing minimization step: 3695. Total energy = 64746.4165 kcal/mol (64743.0028 without restraints) Performing minimization step: 3696. Total energy = 64717.5079 kcal/mol (64714.0972 without restraints) Performing minimization step: 3697. Total energy = 64688.6244 kcal/mol (64685.2167 without restraints) Performing minimization step: 3698. Total energy = 64659.7661 kcal/mol (64656.3613 without restraints) Performing minimization step: 3699. Total energy = 64630.9328 kcal/mol (64627.5309 without restraints) Performing minimization step: 3700. Total energy = 64602.1246 kcal/mol (64598.7258 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3701. Total energy = 64573.3414 kcal/mol (64569.9454 without restraints) Performing minimization step: 3702. Total energy = 64544.5827 kcal/mol (64541.1897 without restraints) Performing minimization step: 3703. Total energy = 64515.8492 kcal/mol (64512.4591 without restraints) Performing minimization step: 3704. Total energy = 64487.1404 kcal/mol (64483.7533 without restraints) Performing minimization step: 3705. Total energy = 64458.4565 kcal/mol (64455.0722 without restraints) Performing minimization step: 3706. Total energy = 64429.7973 kcal/mol (64426.4159 without restraints) Performing minimization step: 3707. Total energy = 64401.1628 kcal/mol (64397.7844 without restraints) Performing minimization step: 3708. Total energy = 64372.5529 kcal/mol (64369.1774 without restraints) Performing minimization step: 3709. Total energy = 64343.9679 kcal/mol (64340.5953 without restraints) Performing minimization step: 3710. Total energy = 64315.4075 kcal/mol (64312.0379 without restraints) Performing minimization step: 3711. Total energy = 64286.8719 kcal/mol (64283.5051 without restraints) Performing minimization step: 3712. Total energy = 64258.3604 kcal/mol (64254.9964 without restraints) Performing minimization step: 3713. Total energy = 64229.8730 kcal/mol (64226.5120 without restraints) Performing minimization step: 3714. Total energy = 64201.4102 kcal/mol (64198.0520 without restraints) Performing minimization step: 3715. Total energy = 64172.9716 kcal/mol (64169.6163 without restraints) Performing minimization step: 3716. Total energy = 64144.5573 kcal/mol (64141.2049 without restraints) Performing minimization step: 3717. Total energy = 64116.1672 kcal/mol (64112.8177 without restraints) Performing minimization step: 3718. Total energy = 64087.8014 kcal/mol (64084.4547 without restraints) Performing minimization step: 3719. Total energy = 64059.4597 kcal/mol (64056.1158 without restraints) Performing minimization step: 3720. Total energy = 64031.1421 kcal/mol (64027.8011 without restraints) Performing minimization step: 3721. Total energy = 64002.8486 kcal/mol (63999.5104 without restraints) Performing minimization step: 3722. Total energy = 63974.5791 kcal/mol (63971.2438 without restraints) Performing minimization step: 3723. Total energy = 63946.3338 kcal/mol (63943.0013 without restraints) Performing minimization step: 3724. Total energy = 63918.1123 kcal/mol (63914.7826 without restraints) Performing minimization step: 3725. Total energy = 63889.9149 kcal/mol (63886.5881 without restraints) Performing minimization step: 3726. Total energy = 63861.7412 kcal/mol (63858.4171 without restraints) Performing minimization step: 3727. Total energy = 63833.5911 kcal/mol (63830.2700 without restraints) Performing minimization step: 3728. Total energy = 63805.4650 kcal/mol (63802.1466 without restraints) Performing minimization step: 3729. Total energy = 63777.3625 kcal/mol (63774.0469 without restraints) Performing minimization step: 3730. Total energy = 63749.2838 kcal/mol (63745.9709 without restraints) Performing minimization step: 3731. Total energy = 63721.2286 kcal/mol (63717.9186 without restraints) Performing minimization step: 3732. Total energy = 63693.1971 kcal/mol (63689.8898 without restraints) Performing minimization step: 3733. Total energy = 63665.1892 kcal/mol (63661.8848 without restraints) Performing minimization step: 3734. Total energy = 63637.2048 kcal/mol (63633.9031 without restraints) Performing minimization step: 3735. Total energy = 63609.2439 kcal/mol (63605.9450 without restraints) Performing minimization step: 3736. Total energy = 63581.3064 kcal/mol (63578.0102 without restraints) Performing minimization step: 3737. Total energy = 63553.3925 kcal/mol (63550.0991 without restraints) Performing minimization step: 3738. Total energy = 63525.5017 kcal/mol (63522.2110 without restraints) Performing minimization step: 3739. Total energy = 63497.6342 kcal/mol (63494.3463 without restraints) Performing minimization step: 3740. Total energy = 63469.7900 kcal/mol (63466.5048 without restraints) Performing minimization step: 3741. Total energy = 63441.9690 kcal/mol (63438.6865 without restraints) Performing minimization step: 3742. Total energy = 63414.1712 kcal/mol (63410.8914 without restraints) Performing minimization step: 3743. Total energy = 63386.3966 kcal/mol (63383.1197 without restraints) Performing minimization step: 3744. Total energy = 63358.6454 kcal/mol (63355.3711 without restraints) Performing minimization step: 3745. Total energy = 63330.9172 kcal/mol (63327.6457 without restraints) Performing minimization step: 3746. Total energy = 63303.2118 kcal/mol (63299.9430 without restraints) Performing minimization step: 3747. Total energy = 63275.5293 kcal/mol (63272.2632 without restraints) Performing minimization step: 3748. Total energy = 63247.8697 kcal/mol (63244.6063 without restraints) Performing minimization step: 3749. Total energy = 63220.2331 kcal/mol (63216.9724 without restraints) Performing minimization step: 3750. Total energy = 63192.6194 kcal/mol (63189.3613 without restraints) Performing minimization step: 3751. Total energy = 63165.0284 kcal/mol (63161.7731 without restraints) Performing minimization step: 3752. Total energy = 63137.4600 kcal/mol (63134.2074 without restraints) Performing minimization step: 3753. Total energy = 63109.9146 kcal/mol (63106.6646 without restraints) Performing minimization step: 3754. Total energy = 63082.3919 kcal/mol (63079.1446 without restraints) Performing minimization step: 3755. Total energy = 63054.8918 kcal/mol (63051.6472 without restraints) Performing minimization step: 3756. Total energy = 63027.4144 kcal/mol (63024.1725 without restraints) Performing minimization step: 3757. Total energy = 62999.9596 kcal/mol (62996.7203 without restraints) Performing minimization step: 3758. Total energy = 62972.5273 kcal/mol (62969.2907 without restraints) Performing minimization step: 3759. Total energy = 62945.1175 kcal/mol (62941.8836 without restraints) Performing minimization step: 3760. Total energy = 62917.7302 kcal/mol (62914.4989 without restraints) Performing minimization step: 3761. Total energy = 62890.3654 kcal/mol (62887.1367 without restraints) Performing minimization step: 3762. Total energy = 62863.0229 kcal/mol (62859.7968 without restraints) Performing minimization step: 3763. Total energy = 62835.7027 kcal/mol (62832.4793 without restraints) Performing minimization step: 3764. Total energy = 62808.4049 kcal/mol (62805.1841 without restraints) Performing minimization step: 3765. Total energy = 62781.1294 kcal/mol (62777.9112 without restraints) Performing minimization step: 3766. Total energy = 62753.8760 kcal/mol (62750.6605 without restraints) Performing minimization step: 3767. Total energy = 62726.6452 kcal/mol (62723.4323 without restraints) Performing minimization step: 3768. Total energy = 62699.4362 kcal/mol (62696.2259 without restraints) Performing minimization step: 3769. Total energy = 62672.2494 kcal/mol (62669.0417 without restraints) Performing minimization step: 3770. Total energy = 62645.0847 kcal/mol (62641.8796 without restraints) Performing minimization step: 3771. Total energy = 62617.9419 kcal/mol (62614.7394 without restraints) Performing minimization step: 3772. Total energy = 62590.8212 kcal/mol (62587.6213 without restraints) Performing minimization step: 3773. Total energy = 62563.7228 kcal/mol (62560.5256 without restraints) Performing minimization step: 3774. Total energy = 62536.6462 kcal/mol (62533.4515 without restraints) Performing minimization step: 3775. Total energy = 62509.5913 kcal/mol (62506.3992 without restraints) Performing minimization step: 3776. Total energy = 62482.5584 kcal/mol (62479.3690 without restraints) Performing minimization step: 3777. Total energy = 62455.5473 kcal/mol (62452.3604 without restraints) Performing minimization step: 3778. Total energy = 62428.5580 kcal/mol (62425.3736 without restraints) Performing minimization step: 3779. Total energy = 62401.5904 kcal/mol (62398.4085 without restraints) Performing minimization step: 3780. Total energy = 62374.6443 kcal/mol (62371.4649 without restraints) Performing minimization step: 3781. Total energy = 62347.7199 kcal/mol (62344.5432 without restraints) Performing minimization step: 3782. Total energy = 62320.8173 kcal/mol (62317.6432 without restraints) Performing minimization step: 3783. Total energy = 62293.9362 kcal/mol (62290.7646 without restraints) Performing minimization step: 3784. Total energy = 62267.0768 kcal/mol (62263.9077 without restraints) Performing minimization step: 3785. Total energy = 62240.2389 kcal/mol (62237.0724 without restraints) Performing minimization step: 3786. Total energy = 62213.4224 kcal/mol (62210.2584 without restraints) Performing minimization step: 3787. Total energy = 62186.6275 kcal/mol (62183.4660 without restraints) Performing minimization step: 3788. Total energy = 62159.8540 kcal/mol (62156.6950 without restraints) Performing minimization step: 3789. Total energy = 62133.1018 kcal/mol (62129.9454 without restraints) Performing minimization step: 3790. Total energy = 62106.3712 kcal/mol (62103.2173 without restraints) Performing minimization step: 3791. Total energy = 62079.6617 kcal/mol (62076.5103 without restraints) Performing minimization step: 3792. Total energy = 62052.9735 kcal/mol (62049.8246 without restraints) Performing minimization step: 3793. Total energy = 62026.3065 kcal/mol (62023.1602 without restraints) Performing minimization step: 3794. Total energy = 61999.6607 kcal/mol (61996.5169 without restraints) Performing minimization step: 3795. Total energy = 61973.0362 kcal/mol (61969.8948 without restraints) Performing minimization step: 3796. Total energy = 61946.4329 kcal/mol (61943.2940 without restraints) Performing minimization step: 3797. Total energy = 61919.8507 kcal/mol (61916.7144 without restraints) Performing minimization step: 3798. Total energy = 61893.2895 kcal/mol (61890.1556 without restraints) Performing minimization step: 3799. Total energy = 61866.7492 kcal/mol (61863.6178 without restraints) Performing minimization step: 3800. Total energy = 61840.2300 kcal/mol (61837.1010 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3801. Total energy = 61813.7317 kcal/mol (61810.6052 without restraints) Performing minimization step: 3802. Total energy = 61787.2543 kcal/mol (61784.1303 without restraints) Performing minimization step: 3803. Total energy = 61760.7978 kcal/mol (61757.6763 without restraints) Performing minimization step: 3804. Total energy = 61734.3623 kcal/mol (61731.2433 without restraints) Performing minimization step: 3805. Total energy = 61707.9479 kcal/mol (61704.8312 without restraints) Performing minimization step: 3806. Total energy = 61681.5538 kcal/mol (61678.4397 without restraints) Performing minimization step: 3807. Total energy = 61655.1804 kcal/mol (61652.0687 without restraints) Performing minimization step: 3808. Total energy = 61628.8279 kcal/mol (61625.7186 without restraints) Performing minimization step: 3809. Total energy = 61602.4960 kcal/mol (61599.3892 without restraints) Performing minimization step: 3810. Total energy = 61576.1848 kcal/mol (61573.0804 without restraints) Performing minimization step: 3811. Total energy = 61549.8943 kcal/mol (61546.7925 without restraints) Performing minimization step: 3812. Total energy = 61523.6243 kcal/mol (61520.5247 without restraints) Performing minimization step: 3813. Total energy = 61497.3748 kcal/mol (61494.2777 without restraints) Performing minimization step: 3814. Total energy = 61471.1461 kcal/mol (61468.0514 without restraints) Performing minimization step: 3815. Total energy = 61444.9377 kcal/mol (61441.8454 without restraints) Performing minimization step: 3816. Total energy = 61418.7497 kcal/mol (61415.6598 without restraints) Performing minimization step: 3817. Total energy = 61392.5822 kcal/mol (61389.4947 without restraints) Performing minimization step: 3818. Total energy = 61366.4350 kcal/mol (61363.3500 without restraints) Performing minimization step: 3819. Total energy = 61340.3083 kcal/mol (61337.2256 without restraints) Performing minimization step: 3820. Total energy = 61314.2018 kcal/mol (61311.1215 without restraints) Performing minimization step: 3821. Total energy = 61288.1156 kcal/mol (61285.0377 without restraints) Performing minimization step: 3822. Total energy = 61262.0496 kcal/mol (61258.9741 without restraints) Performing minimization step: 3823. Total energy = 61236.0039 kcal/mol (61232.9308 without restraints) Performing minimization step: 3824. Total energy = 61209.9784 kcal/mol (61206.9076 without restraints) Performing minimization step: 3825. Total energy = 61183.9730 kcal/mol (61180.9046 without restraints) Performing minimization step: 3826. Total energy = 61157.9877 kcal/mol (61154.9217 without restraints) Performing minimization step: 3827. Total energy = 61132.0225 kcal/mol (61128.9589 without restraints) Performing minimization step: 3828. Total energy = 61106.0774 kcal/mol (61103.0162 without restraints) Performing minimization step: 3829. Total energy = 61080.1523 kcal/mol (61077.0935 without restraints) Performing minimization step: 3830. Total energy = 61054.2472 kcal/mol (61051.1907 without restraints) Performing minimization step: 3831. Total energy = 61028.3621 kcal/mol (61025.3080 without restraints) Performing minimization step: 3832. Total energy = 61002.4969 kcal/mol (60999.4451 without restraints) Performing minimization step: 3833. Total energy = 60976.6514 kcal/mol (60973.6020 without restraints) Performing minimization step: 3834. Total energy = 60950.8262 kcal/mol (60947.7791 without restraints) Performing minimization step: 3835. Total energy = 60925.0206 kcal/mol (60921.9758 without restraints) Performing minimization step: 3836. Total energy = 60899.2348 kcal/mol (60896.1924 without restraints) Performing minimization step: 3837. Total energy = 60873.4687 kcal/mol (60870.4286 without restraints) Performing minimization step: 3838. Total energy = 60847.7225 kcal/mol (60844.6847 without restraints) Performing minimization step: 3839. Total energy = 60821.9960 kcal/mol (60818.9605 without restraints) Performing minimization step: 3840. Total energy = 60796.2891 kcal/mol (60793.2560 without restraints) Performing minimization step: 3841. Total energy = 60770.6018 kcal/mol (60767.5710 without restraints) Performing minimization step: 3842. Total energy = 60744.9344 kcal/mol (60741.9059 without restraints) Performing minimization step: 3843. Total energy = 60719.2864 kcal/mol (60716.2602 without restraints) Performing minimization step: 3844. Total energy = 60693.6579 kcal/mol (60690.6341 without restraints) Performing minimization step: 3845. Total energy = 60668.0490 kcal/mol (60665.0274 without restraints) Performing minimization step: 3846. Total energy = 60642.4594 kcal/mol (60639.4401 without restraints) Performing minimization step: 3847. Total energy = 60616.8894 kcal/mol (60613.8724 without restraints) Performing minimization step: 3848. Total energy = 60591.3388 kcal/mol (60588.3242 without restraints) Performing minimization step: 3849. Total energy = 60565.8079 kcal/mol (60562.7955 without restraints) Performing minimization step: 3850. Total energy = 60540.2962 kcal/mol (60537.2861 without restraints) Performing minimization step: 3851. Total energy = 60514.8038 kcal/mol (60511.7959 without restraints) Performing minimization step: 3852. Total energy = 60489.3306 kcal/mol (60486.3251 without restraints) Performing minimization step: 3853. Total energy = 60463.8768 kcal/mol (60460.8735 without restraints) Performing minimization step: 3854. Total energy = 60438.4422 kcal/mol (60435.4412 without restraints) Performing minimization step: 3855. Total energy = 60413.0269 kcal/mol (60410.0281 without restraints) Performing minimization step: 3856. Total energy = 60387.6307 kcal/mol (60384.6342 without restraints) Performing minimization step: 3857. Total energy = 60362.2537 kcal/mol (60359.2595 without restraints) Performing minimization step: 3858. Total energy = 60336.8959 kcal/mol (60333.9039 without restraints) Performing minimization step: 3859. Total energy = 60311.5573 kcal/mol (60308.5677 without restraints) Performing minimization step: 3860. Total energy = 60286.2377 kcal/mol (60283.2503 without restraints) Performing minimization step: 3861. Total energy = 60260.9371 kcal/mol (60257.9518 without restraints) Performing minimization step: 3862. Total energy = 60235.6555 kcal/mol (60232.6725 without restraints) Performing minimization step: 3863. Total energy = 60210.3926 kcal/mol (60207.4119 without restraints) Performing minimization step: 3864. Total energy = 60185.1490 kcal/mol (60182.1705 without restraints) Performing minimization step: 3865. Total energy = 60159.9242 kcal/mol (60156.9480 without restraints) Performing minimization step: 3866. Total energy = 60134.7184 kcal/mol (60131.7443 without restraints) Performing minimization step: 3867. Total energy = 60109.5315 kcal/mol (60106.5597 without restraints) Performing minimization step: 3868. Total energy = 60084.3634 kcal/mol (60081.3938 without restraints) Performing minimization step: 3869. Total energy = 60059.2141 kcal/mol (60056.2468 without restraints) Performing minimization step: 3870. Total energy = 60034.0836 kcal/mol (60031.1185 without restraints) Performing minimization step: 3871. Total energy = 60008.9721 kcal/mol (60006.0092 without restraints) Performing minimization step: 3872. Total energy = 59983.8791 kcal/mol (59980.9184 without restraints) Performing minimization step: 3873. Total energy = 59958.8048 kcal/mol (59955.8462 without restraints) Performing minimization step: 3874. Total energy = 59933.7491 kcal/mol (59930.7928 without restraints) Performing minimization step: 3875. Total energy = 59908.7122 kcal/mol (59905.7581 without restraints) Performing minimization step: 3876. Total energy = 59883.6936 kcal/mol (59880.7417 without restraints) Performing minimization step: 3877. Total energy = 59858.6939 kcal/mol (59855.7442 without restraints) Performing minimization step: 3878. Total energy = 59833.7129 kcal/mol (59830.7654 without restraints) Performing minimization step: 3879. Total energy = 59808.7504 kcal/mol (59805.8051 without restraints) Performing minimization step: 3880. Total energy = 59783.8063 kcal/mol (59780.8631 without restraints) Performing minimization step: 3881. Total energy = 59758.8806 kcal/mol (59755.9396 without restraints) Performing minimization step: 3882. Total energy = 59733.9734 kcal/mol (59731.0346 without restraints) Performing minimization step: 3883. Total energy = 59709.0847 kcal/mol (59706.1481 without restraints) Performing minimization step: 3884. Total energy = 59684.2143 kcal/mol (59681.2798 without restraints) Performing minimization step: 3885. Total energy = 59659.3622 kcal/mol (59656.4299 without restraints) Performing minimization step: 3886. Total energy = 59634.5286 kcal/mol (59631.5984 without restraints) Performing minimization step: 3887. Total energy = 59609.7133 kcal/mol (59606.7854 without restraints) Performing minimization step: 3888. Total energy = 59584.9166 kcal/mol (59581.9907 without restraints) Performing minimization step: 3889. Total energy = 59560.1377 kcal/mol (59557.2141 without restraints) Performing minimization step: 3890. Total energy = 59535.3771 kcal/mol (59532.4556 without restraints) Performing minimization step: 3891. Total energy = 59510.6347 kcal/mol (59507.7154 without restraints) Performing minimization step: 3892. Total energy = 59485.9105 kcal/mol (59482.9933 without restraints) Performing minimization step: 3893. Total energy = 59461.2045 kcal/mol (59458.2894 without restraints) Performing minimization step: 3894. Total energy = 59436.5166 kcal/mol (59433.6037 without restraints) Performing minimization step: 3895. Total energy = 59411.8468 kcal/mol (59408.9360 without restraints) Performing minimization step: 3896. Total energy = 59387.1953 kcal/mol (59384.2866 without restraints) Performing minimization step: 3897. Total energy = 59362.5617 kcal/mol (59359.6551 without restraints) Performing minimization step: 3898. Total energy = 59337.9460 kcal/mol (59335.0416 without restraints) Performing minimization step: 3899. Total energy = 59313.3488 kcal/mol (59310.4465 without restraints) Performing minimization step: 3900. Total energy = 59288.7691 kcal/mol (59285.8689 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 3901. Total energy = 59264.2072 kcal/mol (59261.3091 without restraints) Performing minimization step: 3902. Total energy = 59239.6636 kcal/mol (59236.7676 without restraints) Performing minimization step: 3903. Total energy = 59215.1376 kcal/mol (59212.2438 without restraints) Performing minimization step: 3904. Total energy = 59190.6296 kcal/mol (59187.7378 without restraints) Performing minimization step: 3905. Total energy = 59166.1393 kcal/mol (59163.2497 without restraints) Performing minimization step: 3906. Total energy = 59141.6669 kcal/mol (59138.7794 without restraints) Performing minimization step: 3907. Total energy = 59117.2123 kcal/mol (59114.3269 without restraints) Performing minimization step: 3908. Total energy = 59092.7758 kcal/mol (59089.8924 without restraints) Performing minimization step: 3909. Total energy = 59068.3567 kcal/mol (59065.4754 without restraints) Performing minimization step: 3910. Total energy = 59043.9553 kcal/mol (59041.0761 without restraints) Performing minimization step: 3911. Total energy = 59019.5716 kcal/mol (59016.6945 without restraints) Performing minimization step: 3912. Total energy = 58995.2056 kcal/mol (58992.3306 without restraints) Performing minimization step: 3913. Total energy = 58970.8570 kcal/mol (58967.9841 without restraints) Performing minimization step: 3914. Total energy = 58946.5262 kcal/mol (58943.6554 without restraints) Performing minimization step: 3915. Total energy = 58922.2132 kcal/mol (58919.3445 without restraints) Performing minimization step: 3916. Total energy = 58897.9177 kcal/mol (58895.0510 without restraints) Performing minimization step: 3917. Total energy = 58873.6396 kcal/mol (58870.7750 without restraints) Performing minimization step: 3918. Total energy = 58849.3791 kcal/mol (58846.5165 without restraints) Performing minimization step: 3919. Total energy = 58825.1361 kcal/mol (58822.2758 without restraints) Performing minimization step: 3920. Total energy = 58800.9106 kcal/mol (58798.0522 without restraints) Performing minimization step: 3921. Total energy = 58776.7025 kcal/mol (58773.8461 without restraints) Performing minimization step: 3922. Total energy = 58752.5119 kcal/mol (58749.6576 without restraints) Performing minimization step: 3923. Total energy = 58728.3386 kcal/mol (58725.4863 without restraints) Performing minimization step: 3924. Total energy = 58704.1827 kcal/mol (58701.3326 without restraints) Performing minimization step: 3925. Total energy = 58680.0442 kcal/mol (58677.1960 without restraints) Performing minimization step: 3926. Total energy = 58655.9227 kcal/mol (58653.0766 without restraints) Performing minimization step: 3927. Total energy = 58631.8187 kcal/mol (58628.9746 without restraints) Performing minimization step: 3928. Total energy = 58607.7320 kcal/mol (58604.8899 without restraints) Performing minimization step: 3929. Total energy = 58583.6625 kcal/mol (58580.8225 without restraints) Performing minimization step: 3930. Total energy = 58559.6103 kcal/mol (58556.7723 without restraints) Performing minimization step: 3931. Total energy = 58535.5752 kcal/mol (58532.7393 without restraints) Performing minimization step: 3932. Total energy = 58511.5577 kcal/mol (58508.7239 without restraints) Performing minimization step: 3933. Total energy = 58487.5571 kcal/mol (58484.7252 without restraints) Performing minimization step: 3934. Total energy = 58463.5735 kcal/mol (58460.7436 without restraints) Performing minimization step: 3935. Total energy = 58439.6070 kcal/mol (58436.7792 without restraints) Performing minimization step: 3936. Total energy = 58415.6577 kcal/mol (58412.8320 without restraints) Performing minimization step: 3937. Total energy = 58391.7256 kcal/mol (58388.9017 without restraints) Performing minimization step: 3938. Total energy = 58367.8100 kcal/mol (58364.9882 without restraints) Performing minimization step: 3939. Total energy = 58343.9118 kcal/mol (58341.0920 without restraints) Performing minimization step: 3940. Total energy = 58320.0305 kcal/mol (58317.2127 without restraints) Performing minimization step: 3941. Total energy = 58296.1668 kcal/mol (58293.3510 without restraints) Performing minimization step: 3942. Total energy = 58272.3194 kcal/mol (58269.5056 without restraints) Performing minimization step: 3943. Total energy = 58248.4890 kcal/mol (58245.6772 without restraints) Performing minimization step: 3944. Total energy = 58224.6755 kcal/mol (58221.8657 without restraints) Performing minimization step: 3945. Total energy = 58200.8789 kcal/mol (58198.0711 without restraints) Performing minimization step: 3946. Total energy = 58177.0991 kcal/mol (58174.2933 without restraints) Performing minimization step: 3947. Total energy = 58153.3362 kcal/mol (58150.5324 without restraints) Performing minimization step: 3948. Total energy = 58129.5901 kcal/mol (58126.7883 without restraints) Performing minimization step: 3949. Total energy = 58105.8608 kcal/mol (58103.0609 without restraints) Performing minimization step: 3950. Total energy = 58082.1485 kcal/mol (58079.3506 without restraints) Performing minimization step: 3951. Total energy = 58058.4527 kcal/mol (58055.6568 without restraints) Performing minimization step: 3952. Total energy = 58034.7736 kcal/mol (58031.9797 without restraints) Performing minimization step: 3953. Total energy = 58011.1113 kcal/mol (58008.3193 without restraints) Performing minimization step: 3954. Total energy = 57987.4656 kcal/mol (57984.6755 without restraints) Performing minimization step: 3955. Total energy = 57963.8366 kcal/mol (57961.0485 without restraints) Performing minimization step: 3956. Total energy = 57940.2241 kcal/mol (57937.4381 without restraints) Performing minimization step: 3957. Total energy = 57916.6283 kcal/mol (57913.8442 without restraints) Performing minimization step: 3958. Total energy = 57893.0491 kcal/mol (57890.2669 without restraints) Performing minimization step: 3959. Total energy = 57869.4864 kcal/mol (57866.7062 without restraints) Performing minimization step: 3960. Total energy = 57845.9406 kcal/mol (57843.1623 without restraints) Performing minimization step: 3961. Total energy = 57822.4111 kcal/mol (57819.6347 without restraints) Performing minimization step: 3962. Total energy = 57798.8980 kcal/mol (57796.1237 without restraints) Performing minimization step: 3963. Total energy = 57775.4015 kcal/mol (57772.6291 without restraints) Performing minimization step: 3964. Total energy = 57751.9216 kcal/mol (57749.1511 without restraints) Performing minimization step: 3965. Total energy = 57728.4580 kcal/mol (57725.6895 without restraints) Performing minimization step: 3966. Total energy = 57705.0108 kcal/mol (57702.2442 without restraints) Performing minimization step: 3967. Total energy = 57681.5800 kcal/mol (57678.8153 without restraints) Performing minimization step: 3968. Total energy = 57658.1655 kcal/mol (57655.4028 without restraints) Performing minimization step: 3969. Total energy = 57634.7675 kcal/mol (57632.0067 without restraints) Performing minimization step: 3970. Total energy = 57611.3857 kcal/mol (57608.6269 without restraints) Performing minimization step: 3971. Total energy = 57588.0203 kcal/mol (57585.2634 without restraints) Performing minimization step: 3972. Total energy = 57564.6712 kcal/mol (57561.9162 without restraints) Performing minimization step: 3973. Total energy = 57541.3384 kcal/mol (57538.5853 without restraints) Performing minimization step: 3974. Total energy = 57518.0218 kcal/mol (57515.2706 without restraints) Performing minimization step: 3975. Total energy = 57494.7214 kcal/mol (57491.9722 without restraints) Performing minimization step: 3976. Total energy = 57471.4374 kcal/mol (57468.6901 without restraints) Performing minimization step: 3977. Total energy = 57448.1700 kcal/mol (57445.4245 without restraints) Performing minimization step: 3978. Total energy = 57424.9182 kcal/mol (57422.1747 without restraints) Performing minimization step: 3979. Total energy = 57401.6826 kcal/mol (57398.9410 without restraints) Performing minimization step: 3980. Total energy = 57378.4636 kcal/mol (57375.7238 without restraints) Performing minimization step: 3981. Total energy = 57355.2603 kcal/mol (57352.5226 without restraints) Performing minimization step: 3982. Total energy = 57332.0732 kcal/mol (57329.3373 without restraints) Performing minimization step: 3983. Total energy = 57308.9020 kcal/mol (57306.1680 without restraints) Performing minimization step: 3984. Total energy = 57285.7471 kcal/mol (57283.0150 without restraints) Performing minimization step: 3985. Total energy = 57262.6080 kcal/mol (57259.8778 without restraints) Performing minimization step: 3986. Total energy = 57239.4849 kcal/mol (57236.7566 without restraints) Performing minimization step: 3987. Total energy = 57216.3779 kcal/mol (57213.6514 without restraints) Performing minimization step: 3988. Total energy = 57193.2868 kcal/mol (57190.5622 without restraints) Performing minimization step: 3989. Total energy = 57170.2117 kcal/mol (57167.4890 without restraints) Performing minimization step: 3990. Total energy = 57147.1524 kcal/mol (57144.4314 without restraints) Performing minimization step: 3991. Total energy = 57124.1090 kcal/mol (57121.3900 without restraints) Performing minimization step: 3992. Total energy = 57101.0816 kcal/mol (57098.3646 without restraints) Performing minimization step: 3993. Total energy = 57078.0701 kcal/mol (57075.3549 without restraints) Performing minimization step: 3994. Total energy = 57055.0745 kcal/mol (57052.3611 without restraints) Performing minimization step: 3995. Total energy = 57032.0944 kcal/mol (57029.3829 without restraints) Performing minimization step: 3996. Total energy = 57009.1309 kcal/mol (57006.4213 without restraints) Performing minimization step: 3997. Total energy = 56986.1825 kcal/mol (56983.4747 without restraints) Performing minimization step: 3998. Total energy = 56963.2501 kcal/mol (56960.5442 without restraints) Performing minimization step: 3999. Total energy = 56940.3335 kcal/mol (56937.6296 without restraints) Performing minimization step: 4000. Total energy = 56917.4328 kcal/mol (56914.7306 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4001. Total energy = 56894.5476 kcal/mol (56891.8473 without restraints) Performing minimization step: 4002. Total energy = 56871.6782 kcal/mol (56868.9797 without restraints) Performing minimization step: 4003. Total energy = 56848.8244 kcal/mol (56846.1278 without restraints) Performing minimization step: 4004. Total energy = 56825.9865 kcal/mol (56823.2918 without restraints) Performing minimization step: 4005. Total energy = 56803.1641 kcal/mol (56800.4712 without restraints) Performing minimization step: 4006. Total energy = 56780.3573 kcal/mol (56777.6662 without restraints) Performing minimization step: 4007. Total energy = 56757.5661 kcal/mol (56754.8769 without restraints) Performing minimization step: 4008. Total energy = 56734.7905 kcal/mol (56732.1031 without restraints) Performing minimization step: 4009. Total energy = 56712.0305 kcal/mol (56709.3449 without restraints) Performing minimization step: 4010. Total energy = 56689.2860 kcal/mol (56686.6023 without restraints) Performing minimization step: 4011. Total energy = 56666.5571 kcal/mol (56663.8752 without restraints) Performing minimization step: 4012. Total energy = 56643.8440 kcal/mol (56641.1639 without restraints) Performing minimization step: 4013. Total energy = 56621.1461 kcal/mol (56618.4679 without restraints) Performing minimization step: 4014. Total energy = 56598.4637 kcal/mol (56595.7873 without restraints) Performing minimization step: 4015. Total energy = 56575.7969 kcal/mol (56573.1224 without restraints) Performing minimization step: 4016. Total energy = 56553.1455 kcal/mol (56550.4727 without restraints) Performing minimization step: 4017. Total energy = 56530.5096 kcal/mol (56527.8387 without restraints) Performing minimization step: 4018. Total energy = 56507.8890 kcal/mol (56505.2199 without restraints) Performing minimization step: 4019. Total energy = 56485.2838 kcal/mol (56482.6165 without restraints) Performing minimization step: 4020. Total energy = 56462.6938 kcal/mol (56460.0284 without restraints) Performing minimization step: 4021. Total energy = 56440.1193 kcal/mol (56437.4557 without restraints) Performing minimization step: 4022. Total energy = 56417.5602 kcal/mol (56414.8984 without restraints) Performing minimization step: 4023. Total energy = 56395.0164 kcal/mol (56392.3564 without restraints) Performing minimization step: 4024. Total energy = 56372.4879 kcal/mol (56369.8297 without restraints) Performing minimization step: 4025. Total energy = 56349.9747 kcal/mol (56347.3183 without restraints) Performing minimization step: 4026. Total energy = 56327.4768 kcal/mol (56324.8222 without restraints) Performing minimization step: 4027. Total energy = 56304.9941 kcal/mol (56302.3413 without restraints) Performing minimization step: 4028. Total energy = 56282.5267 kcal/mol (56279.8757 without restraints) Performing minimization step: 4029. Total energy = 56260.0745 kcal/mol (56257.4253 without restraints) Performing minimization step: 4030. Total energy = 56237.6376 kcal/mol (56234.9901 without restraints) Performing minimization step: 4031. Total energy = 56215.2158 kcal/mol (56212.5701 without restraints) Performing minimization step: 4032. Total energy = 56192.8093 kcal/mol (56190.1655 without restraints) Performing minimization step: 4033. Total energy = 56170.4179 kcal/mol (56167.7758 without restraints) Performing minimization step: 4034. Total energy = 56148.0416 kcal/mol (56145.4013 without restraints) Performing minimization step: 4035. Total energy = 56125.6803 kcal/mol (56123.0418 without restraints) Performing minimization step: 4036. Total energy = 56103.3345 kcal/mol (56100.6978 without restraints) Performing minimization step: 4037. Total energy = 56081.0035 kcal/mol (56078.3685 without restraints) Performing minimization step: 4038. Total energy = 56058.6875 kcal/mol (56056.0544 without restraints) Performing minimization step: 4039. Total energy = 56036.3867 kcal/mol (56033.7553 without restraints) Performing minimization step: 4040. Total energy = 56014.1009 kcal/mol (56011.4713 without restraints) Performing minimization step: 4041. Total energy = 55991.8301 kcal/mol (55989.2022 without restraints) Performing minimization step: 4042. Total energy = 55969.5740 kcal/mol (55966.9480 without restraints) Performing minimization step: 4043. Total energy = 55947.3336 kcal/mol (55944.7093 without restraints) Performing minimization step: 4044. Total energy = 55925.1078 kcal/mol (55922.4852 without restraints) Performing minimization step: 4045. Total energy = 55902.8969 kcal/mol (55900.2761 without restraints) Performing minimization step: 4046. Total energy = 55880.7010 kcal/mol (55878.0820 without restraints) Performing minimization step: 4047. Total energy = 55858.5200 kcal/mol (55855.9028 without restraints) Performing minimization step: 4048. Total energy = 55836.3539 kcal/mol (55833.7384 without restraints) Performing minimization step: 4049. Total energy = 55814.2027 kcal/mol (55811.5890 without restraints) Performing minimization step: 4050. Total energy = 55792.0664 kcal/mol (55789.4545 without restraints) Performing minimization step: 4051. Total energy = 55769.9450 kcal/mol (55767.3348 without restraints) Performing minimization step: 4052. Total energy = 55747.8384 kcal/mol (55745.2299 without restraints) Performing minimization step: 4053. Total energy = 55725.7466 kcal/mol (55723.1399 without restraints) Performing minimization step: 4054. Total energy = 55703.6697 kcal/mol (55701.0647 without restraints) Performing minimization step: 4055. Total energy = 55681.6075 kcal/mol (55679.0043 without restraints) Performing minimization step: 4056. Total energy = 55659.5606 kcal/mol (55656.9592 without restraints) Performing minimization step: 4057. Total energy = 55637.5281 kcal/mol (55634.9284 without restraints) Performing minimization step: 4058. Total energy = 55615.5099 kcal/mol (55612.9120 without restraints) Performing minimization step: 4059. Total energy = 55593.5068 kcal/mol (55590.9106 without restraints) Performing minimization step: 4060. Total energy = 55571.5184 kcal/mol (55568.9239 without restraints) Performing minimization step: 4061. Total energy = 55549.5448 kcal/mol (55546.9520 without restraints) Performing minimization step: 4062. Total energy = 55527.5858 kcal/mol (55524.9947 without restraints) Performing minimization step: 4063. Total energy = 55505.6415 kcal/mol (55503.0522 without restraints) Performing minimization step: 4064. Total energy = 55483.7116 kcal/mol (55481.1240 without restraints) Performing minimization step: 4065. Total energy = 55461.7966 kcal/mol (55459.2107 without restraints) Performing minimization step: 4066. Total energy = 55439.8962 kcal/mol (55437.3121 without restraints) Performing minimization step: 4067. Total energy = 55418.0104 kcal/mol (55415.4280 without restraints) Performing minimization step: 4068. Total energy = 55396.1394 kcal/mol (55393.5588 without restraints) Performing minimization step: 4069. Total energy = 55374.2829 kcal/mol (55371.7039 without restraints) Performing minimization step: 4070. Total energy = 55352.4409 kcal/mol (55349.8636 without restraints) Performing minimization step: 4071. Total energy = 55330.6134 kcal/mol (55328.0379 without restraints) Performing minimization step: 4072. Total energy = 55308.8005 kcal/mol (55306.2267 without restraints) Performing minimization step: 4073. Total energy = 55287.0019 kcal/mol (55284.4298 without restraints) Performing minimization step: 4074. Total energy = 55265.2180 kcal/mol (55262.6476 without restraints) Performing minimization step: 4075. Total energy = 55243.4486 kcal/mol (55240.8800 without restraints) Performing minimization step: 4076. Total energy = 55221.6939 kcal/mol (55219.1269 without restraints) Performing minimization step: 4077. Total energy = 55199.9537 kcal/mol (55197.3885 without restraints) Performing minimization step: 4078. Total energy = 55178.2277 kcal/mol (55175.6642 without restraints) Performing minimization step: 4079. Total energy = 55156.5162 kcal/mol (55153.9544 without restraints) Performing minimization step: 4080. Total energy = 55134.8191 kcal/mol (55132.2590 without restraints) Performing minimization step: 4081. Total energy = 55113.1364 kcal/mol (55110.5779 without restraints) Performing minimization step: 4082. Total energy = 55091.4680 kcal/mol (55088.9113 without restraints) Performing minimization step: 4083. Total energy = 55069.8141 kcal/mol (55067.2590 without restraints) Performing minimization step: 4084. Total energy = 55048.1745 kcal/mol (55045.6211 without restraints) Performing minimization step: 4085. Total energy = 55026.5493 kcal/mol (55023.9976 without restraints) Performing minimization step: 4086. Total energy = 55004.9384 kcal/mol (55002.3884 without restraints) Performing minimization step: 4087. Total energy = 54983.3418 kcal/mol (54980.7935 without restraints) Performing minimization step: 4088. Total energy = 54961.7595 kcal/mol (54959.2129 without restraints) Performing minimization step: 4089. Total energy = 54940.1916 kcal/mol (54937.6467 without restraints) Performing minimization step: 4090. Total energy = 54918.6381 kcal/mol (54916.0949 without restraints) Performing minimization step: 4091. Total energy = 54897.0989 kcal/mol (54894.5574 without restraints) Performing minimization step: 4092. Total energy = 54875.5737 kcal/mol (54873.0339 without restraints) Performing minimization step: 4093. Total energy = 54854.0630 kcal/mol (54851.5248 without restraints) Performing minimization step: 4094. Total energy = 54832.5663 kcal/mol (54830.0298 without restraints) Performing minimization step: 4095. Total energy = 54811.0838 kcal/mol (54808.5490 without restraints) Performing minimization step: 4096. Total energy = 54789.6155 kcal/mol (54787.0824 without restraints) Performing minimization step: 4097. Total energy = 54768.1614 kcal/mol (54765.6299 without restraints) Performing minimization step: 4098. Total energy = 54746.7214 kcal/mol (54744.1916 without restraints) Performing minimization step: 4099. Total energy = 54725.2956 kcal/mol (54722.7674 without restraints) Performing minimization step: 4100. Total energy = 54703.8841 kcal/mol (54701.3576 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4101. Total energy = 54682.4865 kcal/mol (54679.9617 without restraints) Performing minimization step: 4102. Total energy = 54661.1031 kcal/mol (54658.5801 without restraints) Performing minimization step: 4103. Total energy = 54639.7339 kcal/mol (54637.2125 without restraints) Performing minimization step: 4104. Total energy = 54618.3789 kcal/mol (54615.8591 without restraints) Performing minimization step: 4105. Total energy = 54597.0377 kcal/mol (54594.5195 without restraints) Performing minimization step: 4106. Total energy = 54575.7104 kcal/mol (54573.1939 without restraints) Performing minimization step: 4107. Total energy = 54554.3973 kcal/mol (54551.8824 without restraints) Performing minimization step: 4108. Total energy = 54533.0982 kcal/mol (54530.5850 without restraints) Performing minimization step: 4109. Total energy = 54511.8132 kcal/mol (54509.3017 without restraints) Performing minimization step: 4110. Total energy = 54490.5422 kcal/mol (54488.0323 without restraints) Performing minimization step: 4111. Total energy = 54469.2852 kcal/mol (54466.7769 without restraints) Performing minimization step: 4112. Total energy = 54448.0421 kcal/mol (54445.5355 without restraints) Performing minimization step: 4113. Total energy = 54426.8132 kcal/mol (54424.3083 without restraints) Performing minimization step: 4114. Total energy = 54405.5979 kcal/mol (54403.0946 without restraints) Performing minimization step: 4115. Total energy = 54384.3966 kcal/mol (54381.8950 without restraints) Performing minimization step: 4116. Total energy = 54363.2096 kcal/mol (54360.7096 without restraints) Performing minimization step: 4117. Total energy = 54342.0362 kcal/mol (54339.5378 without restraints) Performing minimization step: 4118. Total energy = 54320.8770 kcal/mol (54318.3803 without restraints) Performing minimization step: 4119. Total energy = 54299.7314 kcal/mol (54297.2363 without restraints) Performing minimization step: 4120. Total energy = 54278.5997 kcal/mol (54276.1062 without restraints) Performing minimization step: 4121. Total energy = 54257.4818 kcal/mol (54254.9901 without restraints) Performing minimization step: 4122. Total energy = 54236.3779 kcal/mol (54233.8877 without restraints) Performing minimization step: 4123. Total energy = 54215.2881 kcal/mol (54212.7996 without restraints) Performing minimization step: 4124. Total energy = 54194.2118 kcal/mol (54191.7249 without restraints) Performing minimization step: 4125. Total energy = 54173.1492 kcal/mol (54170.6640 without restraints) Performing minimization step: 4126. Total energy = 54152.1007 kcal/mol (54149.6170 without restraints) Performing minimization step: 4127. Total energy = 54131.0657 kcal/mol (54128.5837 without restraints) Performing minimization step: 4128. Total energy = 54110.0445 kcal/mol (54107.5641 without restraints) Performing minimization step: 4129. Total energy = 54089.0372 kcal/mol (54086.5585 without restraints) Performing minimization step: 4130. Total energy = 54068.0436 kcal/mol (54065.5664 without restraints) Performing minimization step: 4131. Total energy = 54047.0636 kcal/mol (54044.5881 without restraints) Performing minimization step: 4132. Total energy = 54026.0973 kcal/mol (54023.6234 without restraints) Performing minimization step: 4133. Total energy = 54005.1448 kcal/mol (54002.6725 without restraints) Performing minimization step: 4134. Total energy = 53984.2062 kcal/mol (53981.7355 without restraints) Performing minimization step: 4135. Total energy = 53963.2810 kcal/mol (53960.8119 without restraints) Performing minimization step: 4136. Total energy = 53942.3695 kcal/mol (53939.9021 without restraints) Performing minimization step: 4137. Total energy = 53921.4717 kcal/mol (53919.0057 without restraints) Performing minimization step: 4138. Total energy = 53900.5874 kcal/mol (53898.1232 without restraints) Performing minimization step: 4139. Total energy = 53879.7168 kcal/mol (53877.2542 without restraints) Performing minimization step: 4140. Total energy = 53858.8599 kcal/mol (53856.3989 without restraints) Performing minimization step: 4141. Total energy = 53838.0165 kcal/mol (53835.5571 without restraints) Performing minimization step: 4142. Total energy = 53817.1868 kcal/mol (53814.7290 without restraints) Performing minimization step: 4143. Total energy = 53796.3706 kcal/mol (53793.9144 without restraints) Performing minimization step: 4144. Total energy = 53775.5680 kcal/mol (53773.1134 without restraints) Performing minimization step: 4145. Total energy = 53754.7789 kcal/mol (53752.3260 without restraints) Performing minimization step: 4146. Total energy = 53734.0036 kcal/mol (53731.5523 without restraints) Performing minimization step: 4147. Total energy = 53713.2417 kcal/mol (53710.7919 without restraints) Performing minimization step: 4148. Total energy = 53692.4933 kcal/mol (53690.0451 without restraints) Performing minimization step: 4149. Total energy = 53671.7583 kcal/mol (53669.3117 without restraints) Performing minimization step: 4150. Total energy = 53651.0369 kcal/mol (53648.5919 without restraints) Performing minimization step: 4151. Total energy = 53630.3289 kcal/mol (53627.8855 without restraints) Performing minimization step: 4152. Total energy = 53609.6347 kcal/mol (53607.1928 without restraints) Performing minimization step: 4153. Total energy = 53588.9536 kcal/mol (53586.5134 without restraints) Performing minimization step: 4154. Total energy = 53568.2861 kcal/mol (53565.8474 without restraints) Performing minimization step: 4155. Total energy = 53547.6319 kcal/mol (53545.1948 without restraints) Performing minimization step: 4156. Total energy = 53526.9912 kcal/mol (53524.5556 without restraints) Performing minimization step: 4157. Total energy = 53506.3638 kcal/mol (53503.9299 without restraints) Performing minimization step: 4158. Total energy = 53485.7499 kcal/mol (53483.3176 without restraints) Performing minimization step: 4159. Total energy = 53465.1494 kcal/mol (53462.7186 without restraints) Performing minimization step: 4160. Total energy = 53444.5622 kcal/mol (53442.1330 without restraints) Performing minimization step: 4161. Total energy = 53423.9884 kcal/mol (53421.5608 without restraints) Performing minimization step: 4162. Total energy = 53403.4281 kcal/mol (53401.0021 without restraints) Performing minimization step: 4163. Total energy = 53382.8811 kcal/mol (53380.4566 without restraints) Performing minimization step: 4164. Total energy = 53362.3473 kcal/mol (53359.9244 without restraints) Performing minimization step: 4165. Total energy = 53341.8269 kcal/mol (53339.4057 without restraints) Performing minimization step: 4166. Total energy = 53321.3198 kcal/mol (53318.9001 without restraints) Performing minimization step: 4167. Total energy = 53300.8259 kcal/mol (53298.4078 without restraints) Performing minimization step: 4168. Total energy = 53280.3455 kcal/mol (53277.9289 without restraints) Performing minimization step: 4169. Total energy = 53259.8782 kcal/mol (53257.4632 without restraints) Performing minimization step: 4170. Total energy = 53239.4241 kcal/mol (53237.0106 without restraints) Performing minimization step: 4171. Total energy = 53218.9833 kcal/mol (53216.5714 without restraints) Performing minimization step: 4172. Total energy = 53198.5555 kcal/mol (53196.1452 without restraints) Performing minimization step: 4173. Total energy = 53178.1411 kcal/mol (53175.7323 without restraints) Performing minimization step: 4174. Total energy = 53157.7400 kcal/mol (53155.3327 without restraints) Performing minimization step: 4175. Total energy = 53137.3520 kcal/mol (53134.9463 without restraints) Performing minimization step: 4176. Total energy = 53116.9772 kcal/mol (53114.5730 without restraints) Performing minimization step: 4177. Total energy = 53096.6155 kcal/mol (53094.2130 without restraints) Performing minimization step: 4178. Total energy = 53076.2671 kcal/mol (53073.8661 without restraints) Performing minimization step: 4179. Total energy = 53055.9318 kcal/mol (53053.5323 without restraints) Performing minimization step: 4180. Total energy = 53035.6097 kcal/mol (53033.2119 without restraints) Performing minimization step: 4181. Total energy = 53015.3011 kcal/mol (53012.9047 without restraints) Performing minimization step: 4182. Total energy = 52995.0052 kcal/mol (52992.6103 without restraints) Performing minimization step: 4183. Total energy = 52974.7223 kcal/mol (52972.3290 without restraints) Performing minimization step: 4184. Total energy = 52954.4526 kcal/mol (52952.0609 without restraints) Performing minimization step: 4185. Total energy = 52934.1960 kcal/mol (52931.8058 without restraints) Performing minimization step: 4186. Total energy = 52913.9524 kcal/mol (52911.5638 without restraints) Performing minimization step: 4187. Total energy = 52893.7219 kcal/mol (52891.3348 without restraints) Performing minimization step: 4188. Total energy = 52873.5045 kcal/mol (52871.1189 without restraints) Performing minimization step: 4189. Total energy = 52853.3001 kcal/mol (52850.9160 without restraints) Performing minimization step: 4190. Total energy = 52833.1086 kcal/mol (52830.7261 without restraints) Performing minimization step: 4191. Total energy = 52812.9302 kcal/mol (52810.5493 without restraints) Performing minimization step: 4192. Total energy = 52792.7648 kcal/mol (52790.3854 without restraints) Performing minimization step: 4193. Total energy = 52772.6124 kcal/mol (52770.2345 without restraints) Performing minimization step: 4194. Total energy = 52752.4731 kcal/mol (52750.0966 without restraints) Performing minimization step: 4195. Total energy = 52732.3464 kcal/mol (52729.9715 without restraints) Performing minimization step: 4196. Total energy = 52712.2328 kcal/mol (52709.8595 without restraints) Performing minimization step: 4197. Total energy = 52692.1322 kcal/mol (52689.7604 without restraints) Performing minimization step: 4198. Total energy = 52672.0446 kcal/mol (52669.6743 without restraints) Performing minimization step: 4199. Total energy = 52651.9698 kcal/mol (52649.6011 without restraints) Performing minimization step: 4200. Total energy = 52631.9080 kcal/mol (52629.5408 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4201. Total energy = 52611.8592 kcal/mol (52609.4936 without restraints) Performing minimization step: 4202. Total energy = 52591.8233 kcal/mol (52589.4591 without restraints) Performing minimization step: 4203. Total energy = 52571.8001 kcal/mol (52569.4375 without restraints) Performing minimization step: 4204. Total energy = 52551.7893 kcal/mol (52549.4282 without restraints) Performing minimization step: 4205. Total energy = 52531.7919 kcal/mol (52529.4323 without restraints) Performing minimization step: 4206. Total energy = 52511.8071 kcal/mol (52509.4490 without restraints) Performing minimization step: 4207. Total energy = 52491.8355 kcal/mol (52489.4790 without restraints) Performing minimization step: 4208. Total energy = 52471.8766 kcal/mol (52469.5215 without restraints) Performing minimization step: 4209. Total energy = 52451.9305 kcal/mol (52449.5769 without restraints) Performing minimization step: 4210. Total energy = 52431.9971 kcal/mol (52429.6450 without restraints) Performing minimization step: 4211. Total energy = 52412.0765 kcal/mol (52409.7260 without restraints) Performing minimization step: 4212. Total energy = 52392.1687 kcal/mol (52389.8197 without restraints) Performing minimization step: 4213. Total energy = 52372.2737 kcal/mol (52369.9262 without restraints) Performing minimization step: 4214. Total energy = 52352.3914 kcal/mol (52350.0454 without restraints) Performing minimization step: 4215. Total energy = 52332.5219 kcal/mol (52330.1774 without restraints) Performing minimization step: 4216. Total energy = 52312.6651 kcal/mol (52310.3221 without restraints) Performing minimization step: 4217. Total energy = 52292.8213 kcal/mol (52290.4797 without restraints) Performing minimization step: 4218. Total energy = 52272.9899 kcal/mol (52270.6499 without restraints) Performing minimization step: 4219. Total energy = 52253.1713 kcal/mol (52250.8327 without restraints) Performing minimization step: 4220. Total energy = 52233.3653 kcal/mol (52231.0283 without restraints) Performing minimization step: 4221. Total energy = 52213.5720 kcal/mol (52211.2365 without restraints) Performing minimization step: 4222. Total energy = 52193.7913 kcal/mol (52191.4573 without restraints) Performing minimization step: 4223. Total energy = 52174.0233 kcal/mol (52171.6908 without restraints) Performing minimization step: 4224. Total energy = 52154.2679 kcal/mol (52151.9369 without restraints) Performing minimization step: 4225. Total energy = 52134.5252 kcal/mol (52132.1956 without restraints) Performing minimization step: 4226. Total energy = 52114.7955 kcal/mol (52112.4674 without restraints) Performing minimization step: 4227. Total energy = 52095.0781 kcal/mol (52092.7516 without restraints) Performing minimization step: 4228. Total energy = 52075.3732 kcal/mol (52073.0481 without restraints) Performing minimization step: 4229. Total energy = 52055.6810 kcal/mol (52053.3575 without restraints) Performing minimization step: 4230. Total energy = 52036.0014 kcal/mol (52033.6792 without restraints) Performing minimization step: 4231. Total energy = 52016.3341 kcal/mol (52014.0134 without restraints) Performing minimization step: 4232. Total energy = 51996.6793 kcal/mol (51994.3602 without restraints) Performing minimization step: 4233. Total energy = 51977.0373 kcal/mol (51974.7196 without restraints) Performing minimization step: 4234. Total energy = 51957.4079 kcal/mol (51955.0917 without restraints) Performing minimization step: 4235. Total energy = 51937.7908 kcal/mol (51935.4761 without restraints) Performing minimization step: 4236. Total energy = 51918.1863 kcal/mol (51915.8730 without restraints) Performing minimization step: 4237. Total energy = 51898.5942 kcal/mol (51896.2824 without restraints) Performing minimization step: 4238. Total energy = 51879.0147 kcal/mol (51876.7045 without restraints) Performing minimization step: 4239. Total energy = 51859.4475 kcal/mol (51857.1386 without restraints) Performing minimization step: 4240. Total energy = 51839.8928 kcal/mol (51837.5854 without restraints) Performing minimization step: 4241. Total energy = 51820.3506 kcal/mol (51818.0447 without restraints) Performing minimization step: 4242. Total energy = 51800.8208 kcal/mol (51798.5163 without restraints) Performing minimization step: 4243. Total energy = 51781.3034 kcal/mol (51779.0004 without restraints) Performing minimization step: 4244. Total energy = 51761.7983 kcal/mol (51759.4967 without restraints) Performing minimization step: 4245. Total energy = 51742.3055 kcal/mol (51740.0054 without restraints) Performing minimization step: 4246. Total energy = 51722.8253 kcal/mol (51720.5267 without restraints) Performing minimization step: 4247. Total energy = 51703.3575 kcal/mol (51701.0604 without restraints) Performing minimization step: 4248. Total energy = 51683.9023 kcal/mol (51681.6067 without restraints) Performing minimization step: 4249. Total energy = 51664.4594 kcal/mol (51662.1653 without restraints) Performing minimization step: 4250. Total energy = 51645.0288 kcal/mol (51642.7361 without restraints) Performing minimization step: 4251. Total energy = 51625.6109 kcal/mol (51623.3197 without restraints) Performing minimization step: 4252. Total energy = 51606.2050 kcal/mol (51603.9152 without restraints) Performing minimization step: 4253. Total energy = 51586.8113 kcal/mol (51584.5229 without restraints) Performing minimization step: 4254. Total energy = 51567.4298 kcal/mol (51565.1428 without restraints) Performing minimization step: 4255. Total energy = 51548.0606 kcal/mol (51545.7751 without restraints) Performing minimization step: 4256. Total energy = 51528.7038 kcal/mol (51526.4198 without restraints) Performing minimization step: 4257. Total energy = 51509.3593 kcal/mol (51507.0767 without restraints) Performing minimization step: 4258. Total energy = 51490.0268 kcal/mol (51487.7457 without restraints) Performing minimization step: 4259. Total energy = 51470.7068 kcal/mol (51468.4271 without restraints) Performing minimization step: 4260. Total energy = 51451.3990 kcal/mol (51449.1207 without restraints) Performing minimization step: 4261. Total energy = 51432.1035 kcal/mol (51429.8267 without restraints) Performing minimization step: 4262. Total energy = 51412.8201 kcal/mol (51410.5447 without restraints) Performing minimization step: 4263. Total energy = 51393.5490 kcal/mol (51391.2750 without restraints) Performing minimization step: 4264. Total energy = 51374.2900 kcal/mol (51372.0175 without restraints) Performing minimization step: 4265. Total energy = 51355.0432 kcal/mol (51352.7722 without restraints) Performing minimization step: 4266. Total energy = 51335.8086 kcal/mol (51333.5390 without restraints) Performing minimization step: 4267. Total energy = 51316.5862 kcal/mol (51314.3180 without restraints) Performing minimization step: 4268. Total energy = 51297.3759 kcal/mol (51295.1091 without restraints) Performing minimization step: 4269. Total energy = 51278.1777 kcal/mol (51275.9124 without restraints) Performing minimization step: 4270. Total energy = 51258.9917 kcal/mol (51256.7278 without restraints) Performing minimization step: 4271. Total energy = 51239.8181 kcal/mol (51237.5556 without restraints) Performing minimization step: 4272. Total energy = 51220.6563 kcal/mol (51218.3953 without restraints) Performing minimization step: 4273. Total energy = 51201.5066 kcal/mol (51199.2470 without restraints) Performing minimization step: 4274. Total energy = 51182.3690 kcal/mol (51180.1108 without restraints) Performing minimization step: 4275. Total energy = 51163.2435 kcal/mol (51160.9867 without restraints) Performing minimization step: 4276. Total energy = 51144.1301 kcal/mol (51141.8749 without restraints) Performing minimization step: 4277. Total energy = 51125.0288 kcal/mol (51122.7748 without restraints) Performing minimization step: 4278. Total energy = 51105.9394 kcal/mol (51103.6869 without restraints) Performing minimization step: 4279. Total energy = 51086.8622 kcal/mol (51084.6112 without restraints) Performing minimization step: 4280. Total energy = 51067.7969 kcal/mol (51065.5472 without restraints) Performing minimization step: 4281. Total energy = 51048.7435 kcal/mol (51046.4953 without restraints) Performing minimization step: 4282. Total energy = 51029.7021 kcal/mol (51027.4553 without restraints) Performing minimization step: 4283. Total energy = 51010.6730 kcal/mol (51008.4276 without restraints) Performing minimization step: 4284. Total energy = 50991.6557 kcal/mol (50989.4117 without restraints) Performing minimization step: 4285. Total energy = 50972.6502 kcal/mol (50970.4076 without restraints) Performing minimization step: 4286. Total energy = 50953.6565 kcal/mol (50951.4153 without restraints) Performing minimization step: 4287. Total energy = 50934.6749 kcal/mol (50932.4352 without restraints) Performing minimization step: 4288. Total energy = 50915.7055 kcal/mol (50913.4672 without restraints) Performing minimization step: 4289. Total energy = 50896.7479 kcal/mol (50894.5109 without restraints) Performing minimization step: 4290. Total energy = 50877.8021 kcal/mol (50875.5665 without restraints) Performing minimization step: 4291. Total energy = 50858.8681 kcal/mol (50856.6340 without restraints) Performing minimization step: 4292. Total energy = 50839.9461 kcal/mol (50837.7134 without restraints) Performing minimization step: 4293. Total energy = 50821.0360 kcal/mol (50818.8046 without restraints) Performing minimization step: 4294. Total energy = 50802.1377 kcal/mol (50799.9077 without restraints) Performing minimization step: 4295. Total energy = 50783.2514 kcal/mol (50781.0229 without restraints) Performing minimization step: 4296. Total energy = 50764.3769 kcal/mol (50762.1499 without restraints) Performing minimization step: 4297. Total energy = 50745.5143 kcal/mol (50743.2885 without restraints) Performing minimization step: 4298. Total energy = 50726.6633 kcal/mol (50724.4390 without restraints) Performing minimization step: 4299. Total energy = 50707.8244 kcal/mol (50705.6014 without restraints) Performing minimization step: 4300. Total energy = 50688.9970 kcal/mol (50686.7755 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4301. Total energy = 50670.1817 kcal/mol (50667.9615 without restraints) Performing minimization step: 4302. Total energy = 50651.3779 kcal/mol (50649.1591 without restraints) Performing minimization step: 4303. Total energy = 50632.5856 kcal/mol (50630.3682 without restraints) Performing minimization step: 4304. Total energy = 50613.8053 kcal/mol (50611.5893 without restraints) Performing minimization step: 4305. Total energy = 50595.0368 kcal/mol (50592.8222 without restraints) Performing minimization step: 4306. Total energy = 50576.2800 kcal/mol (50574.0667 without restraints) Performing minimization step: 4307. Total energy = 50557.5348 kcal/mol (50555.3230 without restraints) Performing minimization step: 4308. Total energy = 50538.8014 kcal/mol (50536.5910 without restraints) Performing minimization step: 4309. Total energy = 50520.0797 kcal/mol (50517.8706 without restraints) Performing minimization step: 4310. Total energy = 50501.3696 kcal/mol (50499.1619 without restraints) Performing minimization step: 4311. Total energy = 50482.6717 kcal/mol (50480.4653 without restraints) Performing minimization step: 4312. Total energy = 50463.9850 kcal/mol (50461.7800 without restraints) Performing minimization step: 4313. Total energy = 50445.3099 kcal/mol (50443.1063 without restraints) Performing minimization step: 4314. Total energy = 50426.6467 kcal/mol (50424.4445 without restraints) Performing minimization step: 4315. Total energy = 50407.9948 kcal/mol (50405.7939 without restraints) Performing minimization step: 4316. Total energy = 50389.3544 kcal/mol (50387.1549 without restraints) Performing minimization step: 4317. Total energy = 50370.7258 kcal/mol (50368.5277 without restraints) Performing minimization step: 4318. Total energy = 50352.1088 kcal/mol (50349.9121 without restraints) Performing minimization step: 4319. Total energy = 50333.5034 kcal/mol (50331.3080 without restraints) Performing minimization step: 4320. Total energy = 50314.9096 kcal/mol (50312.7156 without restraints) Performing minimization step: 4321. Total energy = 50296.3273 kcal/mol (50294.1347 without restraints) Performing minimization step: 4322. Total energy = 50277.7568 kcal/mol (50275.5655 without restraints) Performing minimization step: 4323. Total energy = 50259.1976 kcal/mol (50257.0077 without restraints) Performing minimization step: 4324. Total energy = 50240.6500 kcal/mol (50238.4614 without restraints) Performing minimization step: 4325. Total energy = 50222.1140 kcal/mol (50219.9268 without restraints) Performing minimization step: 4326. Total energy = 50203.5893 kcal/mol (50201.4034 without restraints) Performing minimization step: 4327. Total energy = 50185.0764 kcal/mol (50182.8919 without restraints) Performing minimization step: 4328. Total energy = 50166.5747 kcal/mol (50164.3915 without restraints) Performing minimization step: 4329. Total energy = 50148.0845 kcal/mol (50145.9027 without restraints) Performing minimization step: 4330. Total energy = 50129.6057 kcal/mol (50127.4253 without restraints) Performing minimization step: 4331. Total energy = 50111.1385 kcal/mol (50108.9594 without restraints) Performing minimization step: 4332. Total energy = 50092.6826 kcal/mol (50090.5048 without restraints) Performing minimization step: 4333. Total energy = 50074.2382 kcal/mol (50072.0618 without restraints) Performing minimization step: 4334. Total energy = 50055.8054 kcal/mol (50053.6304 without restraints) Performing minimization step: 4335. Total energy = 50037.3838 kcal/mol (50035.2101 without restraints) Performing minimization step: 4336. Total energy = 50018.9736 kcal/mol (50016.8012 without restraints) Performing minimization step: 4337. Total energy = 50000.5747 kcal/mol (49998.4037 without restraints) Performing minimization step: 4338. Total energy = 49982.1873 kcal/mol (49980.0176 without restraints) Performing minimization step: 4339. Total energy = 49963.8111 kcal/mol (49961.6428 without restraints) Performing minimization step: 4340. Total energy = 49945.4464 kcal/mol (49943.2794 without restraints) Performing minimization step: 4341. Total energy = 49927.0929 kcal/mol (49924.9272 without restraints) Performing minimization step: 4342. Total energy = 49908.7508 kcal/mol (49906.5865 without restraints) Performing minimization step: 4343. Total energy = 49890.4200 kcal/mol (49888.2570 without restraints) Performing minimization step: 4344. Total energy = 49872.1007 kcal/mol (49869.9391 without restraints) Performing minimization step: 4345. Total energy = 49853.7928 kcal/mol (49851.6325 without restraints) Performing minimization step: 4346. Total energy = 49835.4959 kcal/mol (49833.3369 without restraints) Performing minimization step: 4347. Total energy = 49817.2102 kcal/mol (49815.0525 without restraints) Performing minimization step: 4348. Total energy = 49798.9356 kcal/mol (49796.7792 without restraints) Performing minimization step: 4349. Total energy = 49780.6724 kcal/mol (49778.5174 without restraints) Performing minimization step: 4350. Total energy = 49762.4204 kcal/mol (49760.2667 without restraints) Performing minimization step: 4351. Total energy = 49744.1799 kcal/mol (49742.0276 without restraints) Performing minimization step: 4352. Total energy = 49725.9504 kcal/mol (49723.7994 without restraints) Performing minimization step: 4353. Total energy = 49707.7320 kcal/mol (49705.5821 without restraints) Performing minimization step: 4354. Total energy = 49689.5249 kcal/mol (49687.3765 without restraints) Performing minimization step: 4355. Total energy = 49671.3289 kcal/mol (49669.1819 without restraints) Performing minimization step: 4356. Total energy = 49653.1441 kcal/mol (49650.9984 without restraints) Performing minimization step: 4357. Total energy = 49634.9705 kcal/mol (49632.8261 without restraints) Performing minimization step: 4358. Total energy = 49616.8080 kcal/mol (49614.6649 without restraints) Performing minimization step: 4359. Total energy = 49598.6567 kcal/mol (49596.5149 without restraints) Performing minimization step: 4360. Total energy = 49580.5164 kcal/mol (49578.3759 without restraints) Performing minimization step: 4361. Total energy = 49562.3873 kcal/mol (49560.2482 without restraints) Performing minimization step: 4362. Total energy = 49544.2693 kcal/mol (49542.1314 without restraints) Performing minimization step: 4363. Total energy = 49526.1624 kcal/mol (49524.0258 without restraints) Performing minimization step: 4364. Total energy = 49508.0665 kcal/mol (49505.9312 without restraints) Performing minimization step: 4365. Total energy = 49489.9819 kcal/mol (49487.8479 without restraints) Performing minimization step: 4366. Total energy = 49471.9081 kcal/mol (49469.7755 without restraints) Performing minimization step: 4367. Total energy = 49453.8454 kcal/mol (49451.7141 without restraints) Performing minimization step: 4368. Total energy = 49435.7938 kcal/mol (49433.6637 without restraints) Performing minimization step: 4369. Total energy = 49417.7531 kcal/mol (49415.6244 without restraints) Performing minimization step: 4370. Total energy = 49399.7235 kcal/mol (49397.5960 without restraints) Performing minimization step: 4371. Total energy = 49381.7048 kcal/mol (49379.5787 without restraints) Performing minimization step: 4372. Total energy = 49363.6971 kcal/mol (49361.5723 without restraints) Performing minimization step: 4373. Total energy = 49345.7004 kcal/mol (49343.5768 without restraints) Performing minimization step: 4374. Total energy = 49327.7147 kcal/mol (49325.5924 without restraints) Performing minimization step: 4375. Total energy = 49309.7399 kcal/mol (49307.6189 without restraints) Performing minimization step: 4376. Total energy = 49291.7763 kcal/mol (49289.6566 without restraints) Performing minimization step: 4377. Total energy = 49273.8234 kcal/mol (49271.7050 without restraints) Performing minimization step: 4378. Total energy = 49255.8812 kcal/mol (49253.7641 without restraints) Performing minimization step: 4379. Total energy = 49237.9501 kcal/mol (49235.8343 without restraints) Performing minimization step: 4380. Total energy = 49220.0299 kcal/mol (49217.9154 without restraints) Performing minimization step: 4381. Total energy = 49202.1206 kcal/mol (49200.0073 without restraints) Performing minimization step: 4382. Total energy = 49184.2222 kcal/mol (49182.1102 without restraints) Performing minimization step: 4383. Total energy = 49166.3345 kcal/mol (49164.2237 without restraints) Performing minimization step: 4384. Total energy = 49148.4577 kcal/mol (49146.3484 without restraints) Performing minimization step: 4385. Total energy = 49130.5918 kcal/mol (49128.4836 without restraints) Performing minimization step: 4386. Total energy = 49112.7367 kcal/mol (49110.6298 without restraints) Performing minimization step: 4387. Total energy = 49094.8925 kcal/mol (49092.7869 without restraints) Performing minimization step: 4388. Total energy = 49077.0590 kcal/mol (49074.9547 without restraints) Performing minimization step: 4389. Total energy = 49059.2364 kcal/mol (49057.1334 without restraints) Performing minimization step: 4390. Total energy = 49041.4246 kcal/mol (49039.3228 without restraints) Performing minimization step: 4391. Total energy = 49023.6235 kcal/mol (49021.5230 without restraints) Performing minimization step: 4392. Total energy = 49005.8331 kcal/mol (49003.7339 without restraints) Performing minimization step: 4393. Total energy = 48988.0538 kcal/mol (48985.9558 without restraints) Performing minimization step: 4394. Total energy = 48970.2847 kcal/mol (48968.1880 without restraints) Performing minimization step: 4395. Total energy = 48952.5266 kcal/mol (48950.4311 without restraints) Performing minimization step: 4396. Total energy = 48934.7794 kcal/mol (48932.6854 without restraints) Performing minimization step: 4397. Total energy = 48917.0426 kcal/mol (48914.9497 without restraints) Performing minimization step: 4398. Total energy = 48899.3165 kcal/mol (48897.2249 without restraints) Performing minimization step: 4399. Total energy = 48881.6012 kcal/mol (48879.5108 without restraints) Performing minimization step: 4400. Total energy = 48863.8966 kcal/mol (48861.8074 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4401. Total energy = 48846.2028 kcal/mol (48844.1149 without restraints) Performing minimization step: 4402. Total energy = 48828.5195 kcal/mol (48826.4329 without restraints) Performing minimization step: 4403. Total energy = 48810.8468 kcal/mol (48808.7614 without restraints) Performing minimization step: 4404. Total energy = 48793.1847 kcal/mol (48791.1006 without restraints) Performing minimization step: 4405. Total energy = 48775.5332 kcal/mol (48773.4503 without restraints) Performing minimization step: 4406. Total energy = 48757.8923 kcal/mol (48755.8108 without restraints) Performing minimization step: 4407. Total energy = 48740.2623 kcal/mol (48738.1820 without restraints) Performing minimization step: 4408. Total energy = 48722.6429 kcal/mol (48720.5638 without restraints) Performing minimization step: 4409. Total energy = 48705.0338 kcal/mol (48702.9559 without restraints) Performing minimization step: 4410. Total energy = 48687.4350 kcal/mol (48685.3584 without restraints) Performing minimization step: 4411. Total energy = 48669.8469 kcal/mol (48667.7716 without restraints) Performing minimization step: 4412. Total energy = 48652.2691 kcal/mol (48650.1950 without restraints) Performing minimization step: 4413. Total energy = 48634.7022 kcal/mol (48632.6293 without restraints) Performing minimization step: 4414. Total energy = 48617.1459 kcal/mol (48615.0743 without restraints) Performing minimization step: 4415. Total energy = 48599.6000 kcal/mol (48597.5296 without restraints) Performing minimization step: 4416. Total energy = 48582.0646 kcal/mol (48579.9954 without restraints) Performing minimization step: 4417. Total energy = 48564.5396 kcal/mol (48562.4717 without restraints) Performing minimization step: 4418. Total energy = 48547.0252 kcal/mol (48544.9585 without restraints) Performing minimization step: 4419. Total energy = 48529.5211 kcal/mol (48527.4557 without restraints) Performing minimization step: 4420. Total energy = 48512.0276 kcal/mol (48509.9633 without restraints) Performing minimization step: 4421. Total energy = 48494.5444 kcal/mol (48492.4814 without restraints) Performing minimization step: 4422. Total energy = 48477.0718 kcal/mol (48475.0100 without restraints) Performing minimization step: 4423. Total energy = 48459.6094 kcal/mol (48457.5490 without restraints) Performing minimization step: 4424. Total energy = 48442.1578 kcal/mol (48440.0985 without restraints) Performing minimization step: 4425. Total energy = 48424.7165 kcal/mol (48422.6584 without restraints) Performing minimization step: 4426. Total energy = 48407.2853 kcal/mol (48405.2285 without restraints) Performing minimization step: 4427. Total energy = 48389.8646 kcal/mol (48387.8090 without restraints) Performing minimization step: 4428. Total energy = 48372.4542 kcal/mol (48370.3998 without restraints) Performing minimization step: 4429. Total energy = 48355.0542 kcal/mol (48353.0010 without restraints) Performing minimization step: 4430. Total energy = 48337.6645 kcal/mol (48335.6125 without restraints) Performing minimization step: 4431. Total energy = 48320.2852 kcal/mol (48318.2344 without restraints) Performing minimization step: 4432. Total energy = 48302.9161 kcal/mol (48300.8666 without restraints) Performing minimization step: 4433. Total energy = 48285.5574 kcal/mol (48283.5091 without restraints) Performing minimization step: 4434. Total energy = 48268.2086 kcal/mol (48266.1615 without restraints) Performing minimization step: 4435. Total energy = 48250.8702 kcal/mol (48248.8244 without restraints) Performing minimization step: 4436. Total energy = 48233.5423 kcal/mol (48231.4977 without restraints) Performing minimization step: 4437. Total energy = 48216.2247 kcal/mol (48214.1813 without restraints) Performing minimization step: 4438. Total energy = 48198.9175 kcal/mol (48196.8753 without restraints) Performing minimization step: 4439. Total energy = 48181.6204 kcal/mol (48179.5794 without restraints) Performing minimization step: 4440. Total energy = 48164.3335 kcal/mol (48162.2937 without restraints) Performing minimization step: 4441. Total energy = 48147.0569 kcal/mol (48145.0182 without restraints) Performing minimization step: 4442. Total energy = 48129.7904 kcal/mol (48127.7529 without restraints) Performing minimization step: 4443. Total energy = 48112.5341 kcal/mol (48110.4979 without restraints) Performing minimization step: 4444. Total energy = 48095.2880 kcal/mol (48093.2529 without restraints) Performing minimization step: 4445. Total energy = 48078.0520 kcal/mol (48076.0182 without restraints) Performing minimization step: 4446. Total energy = 48060.8263 kcal/mol (48058.7936 without restraints) Performing minimization step: 4447. Total energy = 48043.6106 kcal/mol (48041.5792 without restraints) Performing minimization step: 4448. Total energy = 48026.4052 kcal/mol (48024.3749 without restraints) Performing minimization step: 4449. Total energy = 48009.2099 kcal/mol (48007.1808 without restraints) Performing minimization step: 4450. Total energy = 47992.0246 kcal/mol (47989.9968 without restraints) Performing minimization step: 4451. Total energy = 47974.8495 kcal/mol (47972.8228 without restraints) Performing minimization step: 4452. Total energy = 47957.6842 kcal/mol (47955.6588 without restraints) Performing minimization step: 4453. Total energy = 47940.5293 kcal/mol (47938.5051 without restraints) Performing minimization step: 4454. Total energy = 47923.3845 kcal/mol (47921.3614 without restraints) Performing minimization step: 4455. Total energy = 47906.2497 kcal/mol (47904.2278 without restraints) Performing minimization step: 4456. Total energy = 47889.1253 kcal/mol (47887.1046 without restraints) Performing minimization step: 4457. Total energy = 47872.0106 kcal/mol (47869.9911 without restraints) Performing minimization step: 4458. Total energy = 47854.9060 kcal/mol (47852.8876 without restraints) Performing minimization step: 4459. Total energy = 47837.8114 kcal/mol (47835.7942 without restraints) Performing minimization step: 4460. Total energy = 47820.7270 kcal/mol (47818.7110 without restraints) Performing minimization step: 4461. Total energy = 47803.6522 kcal/mol (47801.6374 without restraints) Performing minimization step: 4462. Total energy = 47786.5874 kcal/mol (47784.5738 without restraints) Performing minimization step: 4463. Total energy = 47769.5327 kcal/mol (47767.5203 without restraints) Performing minimization step: 4464. Total energy = 47752.4881 kcal/mol (47750.4768 without restraints) Performing minimization step: 4465. Total energy = 47735.4534 kcal/mol (47733.4433 without restraints) Performing minimization step: 4466. Total energy = 47718.4286 kcal/mol (47716.4197 without restraints) Performing minimization step: 4467. Total energy = 47701.4138 kcal/mol (47699.4061 without restraints) Performing minimization step: 4468. Total energy = 47684.4089 kcal/mol (47682.4024 without restraints) Performing minimization step: 4469. Total energy = 47667.4140 kcal/mol (47665.4086 without restraints) Performing minimization step: 4470. Total energy = 47650.4289 kcal/mol (47648.4247 without restraints) Performing minimization step: 4471. Total energy = 47633.4536 kcal/mol (47631.4505 without restraints) Performing minimization step: 4472. Total energy = 47616.4883 kcal/mol (47614.4864 without restraints) Performing minimization step: 4473. Total energy = 47599.5329 kcal/mol (47597.5322 without restraints) Performing minimization step: 4474. Total energy = 47582.5874 kcal/mol (47580.5878 without restraints) Performing minimization step: 4475. Total energy = 47565.6516 kcal/mol (47563.6532 without restraints) Performing minimization step: 4476. Total energy = 47548.7258 kcal/mol (47546.7286 without restraints) Performing minimization step: 4477. Total energy = 47531.8098 kcal/mol (47529.8137 without restraints) Performing minimization step: 4478. Total energy = 47514.9039 kcal/mol (47512.9089 without restraints) Performing minimization step: 4479. Total energy = 47498.0076 kcal/mol (47496.0138 without restraints) Performing minimization step: 4480. Total energy = 47481.1208 kcal/mol (47479.1282 without restraints) Performing minimization step: 4481. Total energy = 47464.2438 kcal/mol (47462.2524 without restraints) Performing minimization step: 4482. Total energy = 47447.3768 kcal/mol (47445.3865 without restraints) Performing minimization step: 4483. Total energy = 47430.5196 kcal/mol (47428.5305 without restraints) Performing minimization step: 4484. Total energy = 47413.6720 kcal/mol (47411.6839 without restraints) Performing minimization step: 4485. Total energy = 47396.8340 kcal/mol (47394.8472 without restraints) Performing minimization step: 4486. Total energy = 47380.0060 kcal/mol (47378.0203 without restraints) Performing minimization step: 4487. Total energy = 47363.1879 kcal/mol (47361.2035 without restraints) Performing minimization step: 4488. Total energy = 47346.3795 kcal/mol (47344.3961 without restraints) Performing minimization step: 4489. Total energy = 47329.5806 kcal/mol (47327.5983 without restraints) Performing minimization step: 4490. Total energy = 47312.7914 kcal/mol (47310.8103 without restraints) Performing minimization step: 4491. Total energy = 47296.0120 kcal/mol (47294.0321 without restraints) Performing minimization step: 4492. Total energy = 47279.2423 kcal/mol (47277.2635 without restraints) Performing minimization step: 4493. Total energy = 47262.4823 kcal/mol (47260.5046 without restraints) Performing minimization step: 4494. Total energy = 47245.7319 kcal/mol (47243.7553 without restraints) Performing minimization step: 4495. Total energy = 47228.9910 kcal/mol (47227.0155 without restraints) Performing minimization step: 4496. Total energy = 47212.2598 kcal/mol (47210.2855 without restraints) Performing minimization step: 4497. Total energy = 47195.5384 kcal/mol (47193.5652 without restraints) Performing minimization step: 4498. Total energy = 47178.8265 kcal/mol (47176.8545 without restraints) Performing minimization step: 4499. Total energy = 47162.1242 kcal/mol (47160.1534 without restraints) Performing minimization step: 4500. Total energy = 47145.4316 kcal/mol (47143.4618 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4501. Total energy = 47128.7485 kcal/mol (47126.7799 without restraints) Performing minimization step: 4502. Total energy = 47112.0750 kcal/mol (47110.1075 without restraints) Performing minimization step: 4503. Total energy = 47095.4111 kcal/mol (47093.4447 without restraints) Performing minimization step: 4504. Total energy = 47078.7567 kcal/mol (47076.7915 without restraints) Performing minimization step: 4505. Total energy = 47062.1119 kcal/mol (47060.1478 without restraints) Performing minimization step: 4506. Total energy = 47045.4767 kcal/mol (47043.5139 without restraints) Performing minimization step: 4507. Total energy = 47028.8511 kcal/mol (47026.8892 without restraints) Performing minimization step: 4508. Total energy = 47012.2348 kcal/mol (47010.2741 without restraints) Performing minimization step: 4509. Total energy = 46995.6281 kcal/mol (46993.6685 without restraints) Performing minimization step: 4510. Total energy = 46979.0308 kcal/mol (46977.0724 without restraints) Performing minimization step: 4511. Total energy = 46962.4431 kcal/mol (46960.4857 without restraints) Performing minimization step: 4512. Total energy = 46945.8648 kcal/mol (46943.9086 without restraints) Performing minimization step: 4513. Total energy = 46929.2960 kcal/mol (46927.3409 without restraints) Performing minimization step: 4514. Total energy = 46912.7365 kcal/mol (46910.7825 without restraints) Performing minimization step: 4515. Total energy = 46896.1866 kcal/mol (46894.2337 without restraints) Performing minimization step: 4516. Total energy = 46879.6464 kcal/mol (46877.6946 without restraints) Performing minimization step: 4517. Total energy = 46863.1153 kcal/mol (46861.1647 without restraints) Performing minimization step: 4518. Total energy = 46846.5938 kcal/mol (46844.6442 without restraints) Performing minimization step: 4519. Total energy = 46830.0816 kcal/mol (46828.1331 without restraints) Performing minimization step: 4520. Total energy = 46813.5787 kcal/mol (46811.6314 without restraints) Performing minimization step: 4521. Total energy = 46797.0853 kcal/mol (46795.1391 without restraints) Performing minimization step: 4522. Total energy = 46780.6013 kcal/mol (46778.6562 without restraints) Performing minimization step: 4523. Total energy = 46764.1266 kcal/mol (46762.1826 without restraints) Performing minimization step: 4524. Total energy = 46747.6613 kcal/mol (46745.7184 without restraints) Performing minimization step: 4525. Total energy = 46731.2054 kcal/mol (46729.2636 without restraints) Performing minimization step: 4526. Total energy = 46714.7588 kcal/mol (46712.8181 without restraints) Performing minimization step: 4527. Total energy = 46698.3215 kcal/mol (46696.3819 without restraints) Performing minimization step: 4528. Total energy = 46681.8936 kcal/mol (46679.9551 without restraints) Performing minimization step: 4529. Total energy = 46665.4750 kcal/mol (46663.5376 without restraints) Performing minimization step: 4530. Total energy = 46649.0657 kcal/mol (46647.1294 without restraints) Performing minimization step: 4531. Total energy = 46632.6656 kcal/mol (46630.7304 without restraints) Performing minimization step: 4532. Total energy = 46616.2749 kcal/mol (46614.3408 without restraints) Performing minimization step: 4533. Total energy = 46599.8936 kcal/mol (46597.9605 without restraints) Performing minimization step: 4534. Total energy = 46583.5213 kcal/mol (46581.5894 without restraints) Performing minimization step: 4535. Total energy = 46567.1585 kcal/mol (46565.2276 without restraints) Performing minimization step: 4536. Total energy = 46550.8048 kcal/mol (46548.8752 without restraints) Performing minimization step: 4537. Total energy = 46534.4604 kcal/mol (46532.5318 without restraints) Performing minimization step: 4538. Total energy = 46518.1252 kcal/mol (46516.1976 without restraints) Performing minimization step: 4539. Total energy = 46501.7991 kcal/mol (46499.8726 without restraints) Performing minimization step: 4540. Total energy = 46485.4825 kcal/mol (46483.5571 without restraints) Performing minimization step: 4541. Total energy = 46469.1748 kcal/mol (46467.2505 without restraints) Performing minimization step: 4542. Total energy = 46452.8764 kcal/mol (46450.9532 without restraints) Performing minimization step: 4543. Total energy = 46436.5874 kcal/mol (46434.6654 without restraints) Performing minimization step: 4544. Total energy = 46420.3074 kcal/mol (46418.3864 without restraints) Performing minimization step: 4545. Total energy = 46404.0365 kcal/mol (46402.1165 without restraints) Performing minimization step: 4546. Total energy = 46387.7747 kcal/mol (46385.8558 without restraints) Performing minimization step: 4547. Total energy = 46371.5221 kcal/mol (46369.6042 without restraints) Performing minimization step: 4548. Total energy = 46355.2785 kcal/mol (46353.3618 without restraints) Performing minimization step: 4549. Total energy = 46339.0444 kcal/mol (46337.1287 without restraints) Performing minimization step: 4550. Total energy = 46322.8191 kcal/mol (46320.9045 without restraints) Performing minimization step: 4551. Total energy = 46306.6029 kcal/mol (46304.6894 without restraints) Performing minimization step: 4552. Total energy = 46290.3959 kcal/mol (46288.4834 without restraints) Performing minimization step: 4553. Total energy = 46274.1977 kcal/mol (46272.2864 without restraints) Performing minimization step: 4554. Total energy = 46258.0087 kcal/mol (46256.0984 without restraints) Performing minimization step: 4555. Total energy = 46241.8293 kcal/mol (46239.9201 without restraints) Performing minimization step: 4556. Total energy = 46225.6585 kcal/mol (46223.7504 without restraints) Performing minimization step: 4557. Total energy = 46209.4968 kcal/mol (46207.5897 without restraints) Performing minimization step: 4558. Total energy = 46193.3441 kcal/mol (46191.4381 without restraints) Performing minimization step: 4559. Total energy = 46177.2004 kcal/mol (46175.2955 without restraints) Performing minimization step: 4560. Total energy = 46161.0659 kcal/mol (46159.1621 without restraints) Performing minimization step: 4561. Total energy = 46144.9405 kcal/mol (46143.0376 without restraints) Performing minimization step: 4562. Total energy = 46128.8238 kcal/mol (46126.9221 without restraints) Performing minimization step: 4563. Total energy = 46112.7163 kcal/mol (46110.8157 without restraints) Performing minimization step: 4564. Total energy = 46096.6178 kcal/mol (46094.7182 without restraints) Performing minimization step: 4565. Total energy = 46080.5282 kcal/mol (46078.6296 without restraints) Performing minimization step: 4566. Total energy = 46064.4475 kcal/mol (46062.5499 without restraints) Performing minimization step: 4567. Total energy = 46048.3760 kcal/mol (46046.4795 without restraints) Performing minimization step: 4568. Total energy = 46032.3132 kcal/mol (46030.4178 without restraints) Performing minimization step: 4569. Total energy = 46016.2591 kcal/mol (46014.3648 without restraints) Performing minimization step: 4570. Total energy = 46000.2143 kcal/mol (45998.3210 without restraints) Performing minimization step: 4571. Total energy = 45984.1784 kcal/mol (45982.2863 without restraints) Performing minimization step: 4572. Total energy = 45968.1515 kcal/mol (45966.2603 without restraints) Performing minimization step: 4573. Total energy = 45952.1334 kcal/mol (45950.2432 without restraints) Performing minimization step: 4574. Total energy = 45936.1242 kcal/mol (45934.2351 without restraints) Performing minimization step: 4575. Total energy = 45920.1239 kcal/mol (45918.2360 without restraints) Performing minimization step: 4576. Total energy = 45904.1328 kcal/mol (45902.2457 without restraints) Performing minimization step: 4577. Total energy = 45888.1501 kcal/mol (45886.2642 without restraints) Performing minimization step: 4578. Total energy = 45872.1766 kcal/mol (45870.2917 without restraints) Performing minimization step: 4579. Total energy = 45856.2117 kcal/mol (45854.3279 without restraints) Performing minimization step: 4580. Total energy = 45840.2557 kcal/mol (45838.3729 without restraints) Performing minimization step: 4581. Total energy = 45824.3085 kcal/mol (45822.4267 without restraints) Performing minimization step: 4582. Total energy = 45808.3702 kcal/mol (45806.4894 without restraints) Performing minimization step: 4583. Total energy = 45792.4406 kcal/mol (45790.5609 without restraints) Performing minimization step: 4584. Total energy = 45776.5200 kcal/mol (45774.6414 without restraints) Performing minimization step: 4585. Total energy = 45760.6081 kcal/mol (45758.7305 without restraints) Performing minimization step: 4586. Total energy = 45744.7050 kcal/mol (45742.8284 without restraints) Performing minimization step: 4587. Total energy = 45728.8106 kcal/mol (45726.9351 without restraints) Performing minimization step: 4588. Total energy = 45712.9251 kcal/mol (45711.0506 without restraints) Performing minimization step: 4589. Total energy = 45697.0483 kcal/mol (45695.1748 without restraints) Performing minimization step: 4590. Total energy = 45681.1802 kcal/mol (45679.3078 without restraints) Performing minimization step: 4591. Total energy = 45665.3210 kcal/mol (45663.4496 without restraints) Performing minimization step: 4592. Total energy = 45649.4702 kcal/mol (45647.5998 without restraints) Performing minimization step: 4593. Total energy = 45633.6286 kcal/mol (45631.7592 without restraints) Performing minimization step: 4594. Total energy = 45617.7957 kcal/mol (45615.9274 without restraints) Performing minimization step: 4595. Total energy = 45601.9714 kcal/mol (45600.1041 without restraints) Performing minimization step: 4596. Total energy = 45586.1557 kcal/mol (45584.2895 without restraints) Performing minimization step: 4597. Total energy = 45570.3488 kcal/mol (45568.4835 without restraints) Performing minimization step: 4598. Total energy = 45554.5505 kcal/mol (45552.6863 without restraints) Performing minimization step: 4599. Total energy = 45538.7607 kcal/mol (45536.8975 without restraints) Performing minimization step: 4600. Total energy = 45522.9799 kcal/mol (45521.1177 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4601. Total energy = 45507.2076 kcal/mol (45505.3465 without restraints) Performing minimization step: 4602. Total energy = 45491.4440 kcal/mol (45489.5839 without restraints) Performing minimization step: 4603. Total energy = 45475.6891 kcal/mol (45473.8300 without restraints) Performing minimization step: 4604. Total energy = 45459.9429 kcal/mol (45458.0848 without restraints) Performing minimization step: 4605. Total energy = 45444.2053 kcal/mol (45442.3482 without restraints) Performing minimization step: 4606. Total energy = 45428.4763 kcal/mol (45426.6202 without restraints) Performing minimization step: 4607. Total energy = 45412.7559 kcal/mol (45410.9009 without restraints) Performing minimization step: 4608. Total energy = 45397.0442 kcal/mol (45395.1902 without restraints) Performing minimization step: 4609. Total energy = 45381.3410 kcal/mol (45379.4880 without restraints) Performing minimization step: 4610. Total energy = 45365.6464 kcal/mol (45363.7945 without restraints) Performing minimization step: 4611. Total energy = 45349.9605 kcal/mol (45348.1095 without restraints) Performing minimization step: 4612. Total energy = 45334.2832 kcal/mol (45332.4333 without restraints) Performing minimization step: 4613. Total energy = 45318.6146 kcal/mol (45316.7656 without restraints) Performing minimization step: 4614. Total energy = 45302.9543 kcal/mol (45301.1064 without restraints) Performing minimization step: 4615. Total energy = 45287.3027 kcal/mol (45285.4558 without restraints) Performing minimization step: 4616. Total energy = 45271.6596 kcal/mol (45269.8136 without restraints) Performing minimization step: 4617. Total energy = 45256.0247 kcal/mol (45254.1798 without restraints) Performing minimization step: 4618. Total energy = 45240.3986 kcal/mol (45238.5547 without restraints) Performing minimization step: 4619. Total energy = 45224.7811 kcal/mol (45222.9382 without restraints) Performing minimization step: 4620. Total energy = 45209.1720 kcal/mol (45207.3301 without restraints) Performing minimization step: 4621. Total energy = 45193.5715 kcal/mol (45191.7306 without restraints) Performing minimization step: 4622. Total energy = 45177.9796 kcal/mol (45176.1397 without restraints) Performing minimization step: 4623. Total energy = 45162.3962 kcal/mol (45160.5574 without restraints) Performing minimization step: 4624. Total energy = 45146.8211 kcal/mol (45144.9831 without restraints) Performing minimization step: 4625. Total energy = 45131.2546 kcal/mol (45129.4177 without restraints) Performing minimization step: 4626. Total energy = 45115.6965 kcal/mol (45113.8606 without restraints) Performing minimization step: 4627. Total energy = 45100.1468 kcal/mol (45098.3119 without restraints) Performing minimization step: 4628. Total energy = 45084.6055 kcal/mol (45082.7716 without restraints) Performing minimization step: 4629. Total energy = 45069.0728 kcal/mol (45067.2399 without restraints) Performing minimization step: 4630. Total energy = 45053.5484 kcal/mol (45051.7165 without restraints) Performing minimization step: 4631. Total energy = 45038.0326 kcal/mol (45036.2017 without restraints) Performing minimization step: 4632. Total energy = 45022.5251 kcal/mol (45020.6952 without restraints) Performing minimization step: 4633. Total energy = 45007.0261 kcal/mol (45005.1971 without restraints) Performing minimization step: 4634. Total energy = 44991.5353 kcal/mol (44989.7072 without restraints) Performing minimization step: 4635. Total energy = 44976.0527 kcal/mol (44974.2258 without restraints) Performing minimization step: 4636. Total energy = 44960.5789 kcal/mol (44958.7529 without restraints) Performing minimization step: 4637. Total energy = 44945.1134 kcal/mol (44943.2884 without restraints) Performing minimization step: 4638. Total energy = 44929.6563 kcal/mol (44927.8323 without restraints) Performing minimization step: 4639. Total energy = 44914.2075 kcal/mol (44912.3846 without restraints) Performing minimization step: 4640. Total energy = 44898.7672 kcal/mol (44896.9452 without restraints) Performing minimization step: 4641. Total energy = 44883.3351 kcal/mol (44881.5141 without restraints) Performing minimization step: 4642. Total energy = 44867.9115 kcal/mol (44866.0915 without restraints) Performing minimization step: 4643. Total energy = 44852.4961 kcal/mol (44850.6771 without restraints) Performing minimization step: 4644. Total energy = 44837.0891 kcal/mol (44835.2711 without restraints) Performing minimization step: 4645. Total energy = 44821.6905 kcal/mol (44819.8734 without restraints) Performing minimization step: 4646. Total energy = 44806.3001 kcal/mol (44804.4840 without restraints) Performing minimization step: 4647. Total energy = 44790.9179 kcal/mol (44789.1028 without restraints) Performing minimization step: 4648. Total energy = 44775.5439 kcal/mol (44773.7298 without restraints) Performing minimization step: 4649. Total energy = 44760.1785 kcal/mol (44758.3654 without restraints) Performing minimization step: 4650. Total energy = 44744.8214 kcal/mol (44743.0092 without restraints) Performing minimization step: 4651. Total energy = 44729.4727 kcal/mol (44727.6615 without restraints) Performing minimization step: 4652. Total energy = 44714.1321 kcal/mol (44712.3219 without restraints) Performing minimization step: 4653. Total energy = 44698.8000 kcal/mol (44696.9907 without restraints) Performing minimization step: 4654. Total energy = 44683.4759 kcal/mol (44681.6676 without restraints) Performing minimization step: 4655. Total energy = 44668.1602 kcal/mol (44666.3529 without restraints) Performing minimization step: 4656. Total energy = 44652.8529 kcal/mol (44651.0466 without restraints) Performing minimization step: 4657. Total energy = 44637.5535 kcal/mol (44635.7482 without restraints) Performing minimization step: 4658. Total energy = 44622.2624 kcal/mol (44620.4580 without restraints) Performing minimization step: 4659. Total energy = 44606.9795 kcal/mol (44605.1761 without restraints) Performing minimization step: 4660. Total energy = 44591.7047 kcal/mol (44589.9023 without restraints) Performing minimization step: 4661. Total energy = 44576.4382 kcal/mol (44574.6368 without restraints) Performing minimization step: 4662. Total energy = 44561.1800 kcal/mol (44559.3796 without restraints) Performing minimization step: 4663. Total energy = 44545.9300 kcal/mol (44544.1305 without restraints) Performing minimization step: 4664. Total energy = 44530.6881 kcal/mol (44528.8895 without restraints) Performing minimization step: 4665. Total energy = 44515.4546 kcal/mol (44513.6572 without restraints) Performing minimization step: 4666. Total energy = 44500.2293 kcal/mol (44498.4326 without restraints) Performing minimization step: 4667. Total energy = 44485.0119 kcal/mol (44483.2162 without restraints) Performing minimization step: 4668. Total energy = 44469.8027 kcal/mol (44468.0080 without restraints) Performing minimization step: 4669. Total energy = 44454.6016 kcal/mol (44452.8078 without restraints) Performing minimization step: 4670. Total energy = 44439.4087 kcal/mol (44437.6159 without restraints) Performing minimization step: 4671. Total energy = 44424.2239 kcal/mol (44422.4320 without restraints) Performing minimization step: 4672. Total energy = 44409.0472 kcal/mol (44407.2563 without restraints) Performing minimization step: 4673. Total energy = 44393.8786 kcal/mol (44392.0887 without restraints) Performing minimization step: 4674. Total energy = 44378.7182 kcal/mol (44376.9292 without restraints) Performing minimization step: 4675. Total energy = 44363.5661 kcal/mol (44361.7781 without restraints) Performing minimization step: 4676. Total energy = 44348.4218 kcal/mol (44346.6348 without restraints) Performing minimization step: 4677. Total energy = 44333.2857 kcal/mol (44331.4996 without restraints) Performing minimization step: 4678. Total energy = 44318.1577 kcal/mol (44316.3725 without restraints) Performing minimization step: 4679. Total energy = 44303.0377 kcal/mol (44301.2535 without restraints) Performing minimization step: 4680. Total energy = 44287.9259 kcal/mol (44286.1427 without restraints) Performing minimization step: 4681. Total energy = 44272.8221 kcal/mol (44271.0398 without restraints) Performing minimization step: 4682. Total energy = 44257.7263 kcal/mol (44255.9450 without restraints) Performing minimization step: 4683. Total energy = 44242.6386 kcal/mol (44240.8583 without restraints) Performing minimization step: 4684. Total energy = 44227.5592 kcal/mol (44225.7798 without restraints) Performing minimization step: 4685. Total energy = 44212.4876 kcal/mol (44210.7091 without restraints) Performing minimization step: 4686. Total energy = 44197.4241 kcal/mol (44195.6466 without restraints) Performing minimization step: 4687. Total energy = 44182.3685 kcal/mol (44180.5918 without restraints) Performing minimization step: 4688. Total energy = 44167.3208 kcal/mol (44165.5452 without restraints) Performing minimization step: 4689. Total energy = 44152.2813 kcal/mol (44150.5066 without restraints) Performing minimization step: 4690. Total energy = 44137.2500 kcal/mol (44135.4762 without restraints) Performing minimization step: 4691. Total energy = 44122.2267 kcal/mol (44120.4538 without restraints) Performing minimization step: 4692. Total energy = 44107.2110 kcal/mol (44105.4391 without restraints) Performing minimization step: 4693. Total energy = 44092.2034 kcal/mol (44090.4325 without restraints) Performing minimization step: 4694. Total energy = 44077.2039 kcal/mol (44075.4339 without restraints) Performing minimization step: 4695. Total energy = 44062.2120 kcal/mol (44060.4430 without restraints) Performing minimization step: 4696. Total energy = 44047.2284 kcal/mol (44045.4603 without restraints) Performing minimization step: 4697. Total energy = 44032.2528 kcal/mol (44030.4856 without restraints) Performing minimization step: 4698. Total energy = 44017.2853 kcal/mol (44015.5190 without restraints) Performing minimization step: 4699. Total energy = 44002.3255 kcal/mol (44000.5602 without restraints) Performing minimization step: 4700. Total energy = 43987.3737 kcal/mol (43985.6093 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4701. Total energy = 43972.4298 kcal/mol (43970.6664 without restraints) Performing minimization step: 4702. Total energy = 43957.4937 kcal/mol (43955.7312 without restraints) Performing minimization step: 4703. Total energy = 43942.5656 kcal/mol (43940.8041 without restraints) Performing minimization step: 4704. Total energy = 43927.6455 kcal/mol (43925.8849 without restraints) Performing minimization step: 4705. Total energy = 43912.7331 kcal/mol (43910.9734 without restraints) Performing minimization step: 4706. Total energy = 43897.8290 kcal/mol (43896.0703 without restraints) Performing minimization step: 4707. Total energy = 43882.9326 kcal/mol (43881.1748 without restraints) Performing minimization step: 4708. Total energy = 43868.0439 kcal/mol (43866.2868 without restraints) Performing minimization step: 4709. Total energy = 43853.1630 kcal/mol (43851.4070 without restraints) Performing minimization step: 4710. Total energy = 43838.2902 kcal/mol (43836.5351 without restraints) Performing minimization step: 4711. Total energy = 43823.4253 kcal/mol (43821.6712 without restraints) Performing minimization step: 4712. Total energy = 43808.5682 kcal/mol (43806.8150 without restraints) Performing minimization step: 4713. Total energy = 43793.7190 kcal/mol (43791.9668 without restraints) Performing minimization step: 4714. Total energy = 43778.8781 kcal/mol (43777.1268 without restraints) Performing minimization step: 4715. Total energy = 43764.0451 kcal/mol (43762.2947 without restraints) Performing minimization step: 4716. Total energy = 43749.2194 kcal/mol (43747.4700 without restraints) Performing minimization step: 4717. Total energy = 43734.4016 kcal/mol (43732.6531 without restraints) Performing minimization step: 4718. Total energy = 43719.5916 kcal/mol (43717.8440 without restraints) Performing minimization step: 4719. Total energy = 43704.7894 kcal/mol (43703.0427 without restraints) Performing minimization step: 4720. Total energy = 43689.9951 kcal/mol (43688.2493 without restraints) Performing minimization step: 4721. Total energy = 43675.2085 kcal/mol (43673.4637 without restraints) Performing minimization step: 4722. Total energy = 43660.4298 kcal/mol (43658.6858 without restraints) Performing minimization step: 4723. Total energy = 43645.6589 kcal/mol (43643.9160 without restraints) Performing minimization step: 4724. Total energy = 43630.8961 kcal/mol (43629.1540 without restraints) Performing minimization step: 4725. Total energy = 43616.1407 kcal/mol (43614.3995 without restraints) Performing minimization step: 4726. Total energy = 43601.3933 kcal/mol (43599.6530 without restraints) Performing minimization step: 4727. Total energy = 43586.6534 kcal/mol (43584.9141 without restraints) Performing minimization step: 4728. Total energy = 43571.9214 kcal/mol (43570.1830 without restraints) Performing minimization step: 4729. Total energy = 43557.1970 kcal/mol (43555.4595 without restraints) Performing minimization step: 4730. Total energy = 43542.4805 kcal/mol (43540.7439 without restraints) Performing minimization step: 4731. Total energy = 43527.7714 kcal/mol (43526.0357 without restraints) Performing minimization step: 4732. Total energy = 43513.0703 kcal/mol (43511.3355 without restraints) Performing minimization step: 4733. Total energy = 43498.3769 kcal/mol (43496.6431 without restraints) Performing minimization step: 4734. Total energy = 43483.6915 kcal/mol (43481.9586 without restraints) Performing minimization step: 4735. Total energy = 43469.0138 kcal/mol (43467.2817 without restraints) Performing minimization step: 4736. Total energy = 43454.3436 kcal/mol (43452.6125 without restraints) Performing minimization step: 4737. Total energy = 43439.6811 kcal/mol (43437.9509 without restraints) Performing minimization step: 4738. Total energy = 43425.0263 kcal/mol (43423.2970 without restraints) Performing minimization step: 4739. Total energy = 43410.3793 kcal/mol (43408.6509 without restraints) Performing minimization step: 4740. Total energy = 43395.7399 kcal/mol (43394.0124 without restraints) Performing minimization step: 4741. Total energy = 43381.1079 kcal/mol (43379.3813 without restraints) Performing minimization step: 4742. Total energy = 43366.4840 kcal/mol (43364.7584 without restraints) Performing minimization step: 4743. Total energy = 43351.8677 kcal/mol (43350.1429 without restraints) Performing minimization step: 4744. Total energy = 43337.2590 kcal/mol (43335.5351 without restraints) Performing minimization step: 4745. Total energy = 43322.6578 kcal/mol (43320.9348 without restraints) Performing minimization step: 4746. Total energy = 43308.0644 kcal/mol (43306.3423 without restraints) Performing minimization step: 4747. Total energy = 43293.4787 kcal/mol (43291.7575 without restraints) Performing minimization step: 4748. Total energy = 43278.9006 kcal/mol (43277.1803 without restraints) Performing minimization step: 4749. Total energy = 43264.3301 kcal/mol (43262.6108 without restraints) Performing minimization step: 4750. Total energy = 43249.7673 kcal/mol (43248.0488 without restraints) Performing minimization step: 4751. Total energy = 43235.2121 kcal/mol (43233.4945 without restraints) Performing minimization step: 4752. Total energy = 43220.6648 kcal/mol (43218.9481 without restraints) Performing minimization step: 4753. Total energy = 43206.1248 kcal/mol (43204.4090 without restraints) Performing minimization step: 4754. Total energy = 43191.5924 kcal/mol (43189.8776 without restraints) Performing minimization step: 4755. Total energy = 43177.0677 kcal/mol (43175.3537 without restraints) Performing minimization step: 4756. Total energy = 43162.5506 kcal/mol (43160.8375 without restraints) Performing minimization step: 4757. Total energy = 43148.0411 kcal/mol (43146.3290 without restraints) Performing minimization step: 4758. Total energy = 43133.5392 kcal/mol (43131.8280 without restraints) Performing minimization step: 4759. Total energy = 43119.0448 kcal/mol (43117.3344 without restraints) Performing minimization step: 4760. Total energy = 43104.5580 kcal/mol (43102.8486 without restraints) Performing minimization step: 4761. Total energy = 43090.0788 kcal/mol (43088.3702 without restraints) Performing minimization step: 4762. Total energy = 43075.6071 kcal/mol (43073.8994 without restraints) Performing minimization step: 4763. Total energy = 43061.1429 kcal/mol (43059.4361 without restraints) Performing minimization step: 4764. Total energy = 43046.6863 kcal/mol (43044.9804 without restraints) Performing minimization step: 4765. Total energy = 43032.2372 kcal/mol (43030.5321 without restraints) Performing minimization step: 4766. Total energy = 43017.7956 kcal/mol (43016.0914 without restraints) Performing minimization step: 4767. Total energy = 43003.3618 kcal/mol (43001.6586 without restraints) Performing minimization step: 4768. Total energy = 42988.9354 kcal/mol (42987.2330 without restraints) Performing minimization step: 4769. Total energy = 42974.5169 kcal/mol (42972.8154 without restraints) Performing minimization step: 4770. Total energy = 42960.1055 kcal/mol (42958.4049 without restraints) Performing minimization step: 4771. Total energy = 42945.7016 kcal/mol (42944.0019 without restraints) Performing minimization step: 4772. Total energy = 42931.3052 kcal/mol (42929.6064 without restraints) Performing minimization step: 4773. Total energy = 42916.9163 kcal/mol (42915.2184 without restraints) Performing minimization step: 4774. Total energy = 42902.5349 kcal/mol (42900.8379 without restraints) Performing minimization step: 4775. Total energy = 42888.1610 kcal/mol (42886.4649 without restraints) Performing minimization step: 4776. Total energy = 42873.7946 kcal/mol (42872.0993 without restraints) Performing minimization step: 4777. Total energy = 42859.4356 kcal/mol (42857.7412 without restraints) Performing minimization step: 4778. Total energy = 42845.0842 kcal/mol (42843.3906 without restraints) Performing minimization step: 4779. Total energy = 42830.7404 kcal/mol (42829.0477 without restraints) Performing minimization step: 4780. Total energy = 42816.4040 kcal/mol (42814.7122 without restraints) Performing minimization step: 4781. Total energy = 42802.0749 kcal/mol (42800.3840 without restraints) Performing minimization step: 4782. Total energy = 42787.7532 kcal/mol (42786.0632 without restraints) Performing minimization step: 4783. Total energy = 42773.4393 kcal/mol (42771.7503 without restraints) Performing minimization step: 4784. Total energy = 42759.1326 kcal/mol (42757.4444 without restraints) Performing minimization step: 4785. Total energy = 42744.8334 kcal/mol (42743.1460 without restraints) Performing minimization step: 4786. Total energy = 42730.5416 kcal/mol (42728.8552 without restraints) Performing minimization step: 4787. Total energy = 42716.2572 kcal/mol (42714.5716 without restraints) Performing minimization step: 4788. Total energy = 42701.9801 kcal/mol (42700.2954 without restraints) Performing minimization step: 4789. Total energy = 42687.7104 kcal/mol (42686.0266 without restraints) Performing minimization step: 4790. Total energy = 42673.4483 kcal/mol (42671.7653 without restraints) Performing minimization step: 4791. Total energy = 42659.1935 kcal/mol (42657.5114 without restraints) Performing minimization step: 4792. Total energy = 42644.9460 kcal/mol (42643.2648 without restraints) Performing minimization step: 4793. Total energy = 42630.7060 kcal/mol (42629.0256 without restraints) Performing minimization step: 4794. Total energy = 42616.4733 kcal/mol (42614.7938 without restraints) Performing minimization step: 4795. Total energy = 42602.2480 kcal/mol (42600.5694 without restraints) Performing minimization step: 4796. Total energy = 42588.0301 kcal/mol (42586.3523 without restraints) Performing minimization step: 4797. Total energy = 42573.8196 kcal/mol (42572.1427 without restraints) Performing minimization step: 4798. Total energy = 42559.6164 kcal/mol (42557.9404 without restraints) Performing minimization step: 4799. Total energy = 42545.4206 kcal/mol (42543.7454 without restraints) Performing minimization step: 4800. Total energy = 42531.2323 kcal/mol (42529.5580 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4801. Total energy = 42517.0512 kcal/mol (42515.3777 without restraints) Performing minimization step: 4802. Total energy = 42502.8774 kcal/mol (42501.2048 without restraints) Performing minimization step: 4803. Total energy = 42488.7109 kcal/mol (42487.0392 without restraints) Performing minimization step: 4804. Total energy = 42474.5518 kcal/mol (42472.8809 without restraints) Performing minimization step: 4805. Total energy = 42460.4000 kcal/mol (42458.7300 without restraints) Performing minimization step: 4806. Total energy = 42446.2556 kcal/mol (42444.5866 without restraints) Performing minimization step: 4807. Total energy = 42432.1185 kcal/mol (42430.4503 without restraints) Performing minimization step: 4808. Total energy = 42417.9887 kcal/mol (42416.3213 without restraints) Performing minimization step: 4809. Total energy = 42403.8661 kcal/mol (42402.1996 without restraints) Performing minimization step: 4810. Total energy = 42389.7508 kcal/mol (42388.0851 without restraints) Performing minimization step: 4811. Total energy = 42375.6428 kcal/mol (42373.9780 without restraints) Performing minimization step: 4812. Total energy = 42361.5422 kcal/mol (42359.8782 without restraints) Performing minimization step: 4813. Total energy = 42347.4488 kcal/mol (42345.7857 without restraints) Performing minimization step: 4814. Total energy = 42333.3627 kcal/mol (42331.7005 without restraints) Performing minimization step: 4815. Total energy = 42319.2840 kcal/mol (42317.6228 without restraints) Performing minimization step: 4816. Total energy = 42305.2126 kcal/mol (42303.5521 without restraints) Performing minimization step: 4817. Total energy = 42291.1484 kcal/mol (42289.4889 without restraints) Performing minimization step: 4818. Total energy = 42277.0915 kcal/mol (42275.4327 without restraints) Performing minimization step: 4819. Total energy = 42263.0417 kcal/mol (42261.3837 without restraints) Performing minimization step: 4820. Total energy = 42248.9993 kcal/mol (42247.3422 without restraints) Performing minimization step: 4821. Total energy = 42234.9642 kcal/mol (42233.3081 without restraints) Performing minimization step: 4822. Total energy = 42220.9362 kcal/mol (42219.2809 without restraints) Performing minimization step: 4823. Total energy = 42206.9154 kcal/mol (42205.2609 without restraints) Performing minimization step: 4824. Total energy = 42192.9018 kcal/mol (42191.2481 without restraints) Performing minimization step: 4825. Total energy = 42178.8954 kcal/mol (42177.2426 without restraints) Performing minimization step: 4826. Total energy = 42164.8962 kcal/mol (42163.2442 without restraints) Performing minimization step: 4827. Total energy = 42150.9043 kcal/mol (42149.2532 without restraints) Performing minimization step: 4828. Total energy = 42136.9195 kcal/mol (42135.2692 without restraints) Performing minimization step: 4829. Total energy = 42122.9419 kcal/mol (42121.2925 without restraints) Performing minimization step: 4830. Total energy = 42108.9716 kcal/mol (42107.3230 without restraints) Performing minimization step: 4831. Total energy = 42095.0084 kcal/mol (42093.3607 without restraints) Performing minimization step: 4832. Total energy = 42081.0524 kcal/mol (42079.4056 without restraints) Performing minimization step: 4833. Total energy = 42067.1035 kcal/mol (42065.4573 without restraints) Performing minimization step: 4834. Total energy = 42053.1618 kcal/mol (42051.5167 without restraints) Performing minimization step: 4835. Total energy = 42039.2274 kcal/mol (42037.5831 without restraints) Performing minimization step: 4836. Total energy = 42025.3002 kcal/mol (42023.6568 without restraints) Performing minimization step: 4837. Total energy = 42011.3803 kcal/mol (42009.7377 without restraints) Performing minimization step: 4838. Total energy = 41997.4673 kcal/mol (41995.8256 without restraints) Performing minimization step: 4839. Total energy = 41983.5615 kcal/mol (41981.9206 without restraints) Performing minimization step: 4840. Total energy = 41969.6628 kcal/mol (41968.0227 without restraints) Performing minimization step: 4841. Total energy = 41955.7713 kcal/mol (41954.1320 without restraints) Performing minimization step: 4842. Total energy = 41941.8869 kcal/mol (41940.2485 without restraints) Performing minimization step: 4843. Total energy = 41928.0096 kcal/mol (41926.3720 without restraints) Performing minimization step: 4844. Total energy = 41914.1396 kcal/mol (41912.5029 without restraints) Performing minimization step: 4845. Total energy = 41900.2766 kcal/mol (41898.6407 without restraints) Performing minimization step: 4846. Total energy = 41886.4207 kcal/mol (41884.7856 without restraints) Performing minimization step: 4847. Total energy = 41872.5719 kcal/mol (41870.9376 without restraints) Performing minimization step: 4848. Total energy = 41858.7303 kcal/mol (41857.0970 without restraints) Performing minimization step: 4849. Total energy = 41844.8957 kcal/mol (41843.2632 without restraints) Performing minimization step: 4850. Total energy = 41831.0680 kcal/mol (41829.4363 without restraints) Performing minimization step: 4851. Total energy = 41817.2475 kcal/mol (41815.6167 without restraints) Performing minimization step: 4852. Total energy = 41803.4344 kcal/mol (41801.8044 without restraints) Performing minimization step: 4853. Total energy = 41789.6283 kcal/mol (41787.9992 without restraints) Performing minimization step: 4854. Total energy = 41775.8292 kcal/mol (41774.2008 without restraints) Performing minimization step: 4855. Total energy = 41762.0371 kcal/mol (41760.4095 without restraints) Performing minimization step: 4856. Total energy = 41748.2520 kcal/mol (41746.6253 without restraints) Performing minimization step: 4857. Total energy = 41734.4740 kcal/mol (41732.8481 without restraints) Performing minimization step: 4858. Total energy = 41720.7031 kcal/mol (41719.0780 without restraints) Performing minimization step: 4859. Total energy = 41706.9392 kcal/mol (41705.3150 without restraints) Performing minimization step: 4860. Total energy = 41693.1824 kcal/mol (41691.5590 without restraints) Performing minimization step: 4861. Total energy = 41679.4326 kcal/mol (41677.8101 without restraints) Performing minimization step: 4862. Total energy = 41665.6898 kcal/mol (41664.0681 without restraints) Performing minimization step: 4863. Total energy = 41651.9543 kcal/mol (41650.3335 without restraints) Performing minimization step: 4864. Total energy = 41638.2256 kcal/mol (41636.6056 without restraints) Performing minimization step: 4865. Total energy = 41624.5040 kcal/mol (41622.8847 without restraints) Performing minimization step: 4866. Total energy = 41610.7893 kcal/mol (41609.1709 without restraints) Performing minimization step: 4867. Total energy = 41597.0816 kcal/mol (41595.4641 without restraints) Performing minimization step: 4868. Total energy = 41583.3810 kcal/mol (41581.7643 without restraints) Performing minimization step: 4869. Total energy = 41569.6874 kcal/mol (41568.0715 without restraints) Performing minimization step: 4870. Total energy = 41556.0008 kcal/mol (41554.3857 without restraints) Performing minimization step: 4871. Total energy = 41542.3211 kcal/mol (41540.7069 without restraints) Performing minimization step: 4872. Total energy = 41528.6485 kcal/mol (41527.0351 without restraints) Performing minimization step: 4873. Total energy = 41514.9828 kcal/mol (41513.3702 without restraints) Performing minimization step: 4874. Total energy = 41501.3240 kcal/mol (41499.7123 without restraints) Performing minimization step: 4875. Total energy = 41487.6723 kcal/mol (41486.0614 without restraints) Performing minimization step: 4876. Total energy = 41474.0276 kcal/mol (41472.4175 without restraints) Performing minimization step: 4877. Total energy = 41460.3895 kcal/mol (41458.7802 without restraints) Performing minimization step: 4878. Total energy = 41446.7587 kcal/mol (41445.1502 without restraints) Performing minimization step: 4879. Total energy = 41433.1348 kcal/mol (41431.5271 without restraints) Performing minimization step: 4880. Total energy = 41419.5179 kcal/mol (41417.9110 without restraints) Performing minimization step: 4881. Total energy = 41405.9081 kcal/mol (41404.3023 without restraints) Performing minimization step: 4882. Total energy = 41392.3053 kcal/mol (41390.7001 without restraints) Performing minimization step: 4883. Total energy = 41378.7093 kcal/mol (41377.1049 without restraints) Performing minimization step: 4884. Total energy = 41365.1201 kcal/mol (41363.5165 without restraints) Performing minimization step: 4885. Total energy = 41351.5378 kcal/mol (41349.9351 without restraints) Performing minimization step: 4886. Total energy = 41337.9625 kcal/mol (41336.3605 without restraints) Performing minimization step: 4887. Total energy = 41324.3941 kcal/mol (41322.7929 without restraints) Performing minimization step: 4888. Total energy = 41310.8326 kcal/mol (41309.2323 without restraints) Performing minimization step: 4889. Total energy = 41297.2782 kcal/mol (41295.6787 without restraints) Performing minimization step: 4890. Total energy = 41283.7304 kcal/mol (41282.1318 without restraints) Performing minimization step: 4891. Total energy = 41270.1896 kcal/mol (41268.5917 without restraints) Performing minimization step: 4892. Total energy = 41256.6557 kcal/mol (41255.0586 without restraints) Performing minimization step: 4893. Total energy = 41243.1286 kcal/mol (41241.5324 without restraints) Performing minimization step: 4894. Total energy = 41229.6085 kcal/mol (41228.0131 without restraints) Performing minimization step: 4895. Total energy = 41216.0952 kcal/mol (41214.5006 without restraints) Performing minimization step: 4896. Total energy = 41202.5888 kcal/mol (41200.9950 without restraints) Performing minimization step: 4897. Total energy = 41189.0892 kcal/mol (41187.4962 without restraints) Performing minimization step: 4898. Total energy = 41175.5966 kcal/mol (41174.0044 without restraints) Performing minimization step: 4899. Total energy = 41162.1107 kcal/mol (41160.5193 without restraints) Performing minimization step: 4900. Total energy = 41148.6317 kcal/mol (41147.0412 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. Performing minimization step: 4901. Total energy = 41135.1596 kcal/mol (41133.5699 without restraints) Performing minimization step: 4902. Total energy = 41121.6942 kcal/mol (41120.1052 without restraints) Performing minimization step: 4903. Total energy = 41108.2357 kcal/mol (41106.6476 without restraints) Performing minimization step: 4904. Total energy = 41094.7841 kcal/mol (41093.1968 without restraints) Performing minimization step: 4905. Total energy = 41081.3394 kcal/mol (41079.7528 without restraints) Performing minimization step: 4906. Total energy = 41067.9014 kcal/mol (41066.3157 without restraints) Performing minimization step: 4907. Total energy = 41054.4703 kcal/mol (41052.8854 without restraints) Performing minimization step: 4908. Total energy = 41041.0460 kcal/mol (41039.4618 without restraints) Performing minimization step: 4909. Total energy = 41027.6291 kcal/mol (41026.0458 without restraints) Performing minimization step: 4910. Total energy = 41014.2182 kcal/mol (41012.6357 without restraints) Performing minimization step: 4911. Total energy = 41000.8143 kcal/mol (40999.2326 without restraints) Performing minimization step: 4912. Total energy = 40987.4172 kcal/mol (40985.8363 without restraints) Performing minimization step: 4913. Total energy = 40974.0270 kcal/mol (40972.4470 without restraints) Performing minimization step: 4914. Total energy = 40960.6436 kcal/mol (40959.0643 without restraints) Performing minimization step: 4915. Total energy = 40947.2670 kcal/mol (40945.6885 without restraints) Performing minimization step: 4916. Total energy = 40933.8973 kcal/mol (40932.3196 without restraints) Performing minimization step: 4917. Total energy = 40920.5341 kcal/mol (40918.9572 without restraints) Performing minimization step: 4918. Total energy = 40907.1777 kcal/mol (40905.6015 without restraints) Performing minimization step: 4919. Total energy = 40893.8280 kcal/mol (40892.2527 without restraints) Performing minimization step: 4920. Total energy = 40880.4851 kcal/mol (40878.9106 without restraints) Performing minimization step: 4921. Total energy = 40867.1490 kcal/mol (40865.5753 without restraints) Performing minimization step: 4922. Total energy = 40853.8196 kcal/mol (40852.2467 without restraints) Performing minimization step: 4923. Total energy = 40840.4969 kcal/mol (40838.9248 without restraints) Performing minimization step: 4924. Total energy = 40827.1810 kcal/mol (40825.6097 without restraints) Performing minimization step: 4925. Total energy = 40813.8721 kcal/mol (40812.3016 without restraints) Performing minimization step: 4926. Total energy = 40800.5697 kcal/mol (40799.0000 without restraints) Performing minimization step: 4927. Total energy = 40787.2740 kcal/mol (40785.7050 without restraints) Performing minimization step: 4928. Total energy = 40773.9850 kcal/mol (40772.4168 without restraints) Performing minimization step: 4929. Total energy = 40760.7027 kcal/mol (40759.1354 without restraints) Performing minimization step: 4930. Total energy = 40747.4272 kcal/mol (40745.8606 without restraints) Performing minimization step: 4931. Total energy = 40734.1583 kcal/mol (40732.5925 without restraints) Performing minimization step: 4932. Total energy = 40720.8962 kcal/mol (40719.3312 without restraints) Performing minimization step: 4933. Total energy = 40707.6407 kcal/mol (40706.0765 without restraints) Performing minimization step: 4934. Total energy = 40694.3920 kcal/mol (40692.8286 without restraints) Performing minimization step: 4935. Total energy = 40681.1499 kcal/mol (40679.5873 without restraints) Performing minimization step: 4936. Total energy = 40667.9145 kcal/mol (40666.3527 without restraints) Performing minimization step: 4937. Total energy = 40654.6858 kcal/mol (40653.1248 without restraints) Performing minimization step: 4938. Total energy = 40641.4638 kcal/mol (40639.9035 without restraints) Performing minimization step: 4939. Total energy = 40628.2483 kcal/mol (40626.6888 without restraints) Performing minimization step: 4940. Total energy = 40615.0396 kcal/mol (40613.4809 without restraints) Performing minimization step: 4941. Total energy = 40601.8376 kcal/mol (40600.2797 without restraints) Performing minimization step: 4942. Total energy = 40588.6422 kcal/mol (40587.0851 without restraints) Performing minimization step: 4943. Total energy = 40575.4535 kcal/mol (40573.8971 without restraints) Performing minimization step: 4944. Total energy = 40562.2714 kcal/mol (40560.7159 without restraints) Performing minimization step: 4945. Total energy = 40549.0960 kcal/mol (40547.5412 without restraints) Performing minimization step: 4946. Total energy = 40535.9272 kcal/mol (40534.3732 without restraints) Performing minimization step: 4947. Total energy = 40522.7651 kcal/mol (40521.2119 without restraints) Performing minimization step: 4948. Total energy = 40509.6099 kcal/mol (40508.0576 without restraints) Performing minimization step: 4949. Total energy = 40496.4611 kcal/mol (40494.9095 without restraints) Performing minimization step: 4950. Total energy = 40483.3189 kcal/mol (40481.7680 without restraints) Performing minimization step: 4951. Total energy = 40470.1832 kcal/mol (40468.6331 without restraints) Performing minimization step: 4952. Total energy = 40457.0542 kcal/mol (40455.5051 without restraints) Performing minimization step: 4953. Total energy = 40443.9319 kcal/mol (40442.3834 without restraints) Performing minimization step: 4954. Total energy = 40430.8161 kcal/mol (40429.2683 without restraints) Performing minimization step: 4955. Total energy = 40417.7069 kcal/mol (40416.1599 without restraints) Performing minimization step: 4956. Total energy = 40404.6042 kcal/mol (40403.0580 without restraints) Performing minimization step: 4957. Total energy = 40391.5082 kcal/mol (40389.9628 without restraints) Performing minimization step: 4958. Total energy = 40378.4186 kcal/mol (40376.8740 without restraints) Performing minimization step: 4959. Total energy = 40365.3358 kcal/mol (40363.7919 without restraints) Performing minimization step: 4960. Total energy = 40352.2593 kcal/mol (40350.7163 without restraints) Performing minimization step: 4961. Total energy = 40339.1899 kcal/mol (40337.6476 without restraints) Performing minimization step: 4962. Total energy = 40326.1267 kcal/mol (40324.5852 without restraints) Performing minimization step: 4963. Total energy = 40313.0699 kcal/mol (40311.5292 without restraints) Performing minimization step: 4964. Total energy = 40300.0199 kcal/mol (40298.4799 without restraints) Performing minimization step: 4965. Total energy = 40286.9764 kcal/mol (40285.4372 without restraints) Performing minimization step: 4966. Total energy = 40273.9394 kcal/mol (40272.4010 without restraints) Performing minimization step: 4967. Total energy = 40260.9090 kcal/mol (40259.3714 without restraints) Performing minimization step: 4968. Total energy = 40247.8851 kcal/mol (40246.3483 without restraints) Performing minimization step: 4969. Total energy = 40234.8680 kcal/mol (40233.3319 without restraints) Performing minimization step: 4970. Total energy = 40221.8572 kcal/mol (40220.3218 without restraints) Performing minimization step: 4971. Total energy = 40208.8529 kcal/mol (40207.3183 without restraints) Performing minimization step: 4972. Total energy = 40195.8551 kcal/mol (40194.3213 without restraints) Performing minimization step: 4973. Total energy = 40182.8638 kcal/mol (40181.3308 without restraints) Performing minimization step: 4974. Total energy = 40169.8791 kcal/mol (40168.3468 without restraints) Performing minimization step: 4975. Total energy = 40156.9009 kcal/mol (40155.3694 without restraints) Performing minimization step: 4976. Total energy = 40143.9292 kcal/mol (40142.3985 without restraints) Performing minimization step: 4977. Total energy = 40130.9643 kcal/mol (40129.4344 without restraints) Performing minimization step: 4978. Total energy = 40118.0057 kcal/mol (40116.4765 without restraints) Performing minimization step: 4979. Total energy = 40105.0534 kcal/mol (40103.5250 without restraints) Performing minimization step: 4980. Total energy = 40092.1076 kcal/mol (40090.5800 without restraints) Performing minimization step: 4981. Total energy = 40079.1684 kcal/mol (40077.6415 without restraints) Performing minimization step: 4982. Total energy = 40066.2357 kcal/mol (40064.7096 without restraints) Performing minimization step: 4983. Total energy = 40053.3094 kcal/mol (40051.7841 without restraints) Performing minimization step: 4984. Total energy = 40040.3896 kcal/mol (40038.8650 without restraints) Performing minimization step: 4985. Total energy = 40027.4762 kcal/mol (40025.9524 without restraints) Performing minimization step: 4986. Total energy = 40014.5693 kcal/mol (40013.0462 without restraints) Performing minimization step: 4987. Total energy = 40001.6688 kcal/mol (40000.1464 without restraints) Performing minimization step: 4988. Total energy = 39988.7749 kcal/mol (39987.2534 without restraints) Performing minimization step: 4989. Total energy = 39975.8872 kcal/mol (39974.3663 without restraints) Performing minimization step: 4990. Total energy = 39963.0059 kcal/mol (39961.4859 without restraints) Performing minimization step: 4991. Total energy = 39950.1311 kcal/mol (39948.6117 without restraints) Performing minimization step: 4992. Total energy = 39937.2625 kcal/mol (39935.7439 without restraints) Performing minimization step: 4993. Total energy = 39924.4006 kcal/mol (39922.8828 without restraints) Performing minimization step: 4994. Total energy = 39911.5451 kcal/mol (39910.0281 without restraints) Performing minimization step: 4995. Total energy = 39898.6961 kcal/mol (39897.1798 without restraints) Performing minimization step: 4996. Total energy = 39885.8535 kcal/mol (39884.3380 without restraints) Performing minimization step: 4997. Total energy = 39873.0173 kcal/mol (39871.5026 without restraints) Performing minimization step: 4998. Total energy = 39860.1875 kcal/mol (39858.6735 without restraints) Performing minimization step: 4999. Total energy = 39847.3641 kcal/mol (39845.8508 without restraints) Performing minimization step: 5000. Total energy = 39834.5471 kcal/mol (39833.0346 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/a834f4bc/tmp/sample_96_rna_refx/sample_96_rna_refx.pdb ...Done. /home/ubuntu/rna-tools//opt/qrnas/ Save to sample_96_rna_refx.pdb DONE!