============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_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/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA.pdb ============================================================================= Atom's 873 C4 residue renamed to RG3 Atom's 872 N3 residue renamed to RG3 Atom's 871 N2 residue renamed to RG3 Atom's 870 C2 residue renamed to RG3 Atom's 869 N1 residue renamed to RG3 Atom's 868 O6 residue renamed to RG3 Atom's 867 C6 residue renamed to RG3 Atom's 866 C5 residue renamed to RG3 Atom's 865 N7 residue renamed to RG3 Atom's 864 C8 residue renamed to RG3 Atom's 863 N9 residue renamed to RG3 Atom's 862 C1' residue renamed to RG3 Atom's 861 O2' residue renamed to RG3 Atom's 860 C2' residue renamed to RG3 Atom's 859 O3' residue renamed to RG3 Atom's 858 C3' residue renamed to RG3 Atom's 857 O4' residue renamed to RG3 Atom's 856 C4' residue renamed to RG3 Atom's 855 C5' residue renamed to RG3 Atom's 854 O5' residue renamed to RG3 Atom's 853 OP2 residue renamed to RG3 Atom's 852 OP1 residue renamed to RG3 Atom's 851 P residue renamed to RG3 Missing atom added: ATOM 21 H5'1 C A 1 -25.902 18.618 20.735 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 1 -26.158 17.068 19.751 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 1 -24.384 18.733 19.175 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 1 -23.145 16.313 20.531 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 1 -21.829 19.945 20.947 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 1 -21.000 17.592 19.851 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 1 -22.662 18.565 18.041 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 1 -23.464 17.907 23.052 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 1 -20.477 16.941 26.587 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 1 -18.980 17.474 25.951 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 1 -22.868 16.990 25.518 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 2 -20.943 16.531 16.581 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 2 -20.318 14.797 16.400 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 2 -18.547 16.003 16.212 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 2 -18.741 13.767 18.065 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 2 -16.709 16.833 19.102 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 2 -16.445 14.067 18.627 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 2 -16.207 15.145 16.398 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 2 -19.876 15.444 20.453 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 2 -14.429 14.895 24.594 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 2 -13.046 15.771 21.337 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 2 -12.868 14.998 22.810 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 3 -14.647 12.499 14.874 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 3 -14.332 11.763 16.545 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 3 -12.512 12.571 16.251 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 3 -12.947 11.207 17.645 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 3 -12.360 14.520 19.289 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 3 -11.188 12.048 18.998 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 3 -10.635 13.471 16.894 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 3 -15.273 12.647 18.840 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 3 -13.193 12.071 23.567 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 3 -16.636 11.536 20.574 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 4 -8.940 10.955 17.067 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 4 -8.745 9.116 17.192 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 4 -7.422 9.690 18.695 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 4 -9.874 7.925 19.221 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 4 -8.602 10.153 21.963 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 4 -9.039 7.477 21.403 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 4 -6.701 8.185 20.512 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 4 -11.295 9.900 19.676 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 4 -15.125 9.148 22.335 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 4 -14.443 8.862 23.879 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 4 -13.956 9.739 20.067 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 5 -7.712 5.937 21.036 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 5 -6.463 5.009 20.032 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 5 -7.018 4.759 22.500 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 5 -9.550 3.336 21.124 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 5 -9.239 5.177 24.572 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 5 -10.092 2.719 23.489 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 5 -7.502 2.590 23.713 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 5 -10.706 6.038 21.394 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 5 -15.327 4.638 26.277 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 5 -12.170 3.371 27.583 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 5 -13.838 3.267 27.512 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 6 -8.280 0.371 23.539 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 6 -8.525 -1.283 22.739 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 6 -9.111 -1.515 24.858 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 6 -11.472 -1.414 22.784 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 6 -11.875 -0.556 26.466 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 6 -12.920 -2.218 24.512 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 6 -10.805 -3.333 25.425 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 6 -11.512 1.024 23.099 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 6 -15.371 3.649 22.338 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 6 -16.356 3.240 23.677 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 6 -12.970 2.814 21.703 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 7 -10.633 -5.242 19.172 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 7 -9.463 -3.805 19.204 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 7 -9.593 -3.789 17.292 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 7 -12.213 -3.548 17.037 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 7 -9.094 -3.116 15.046 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 7 -11.742 -2.388 15.075 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 7 -10.459 -0.750 16.486 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 7 -10.523 -5.496 16.149 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 7 -11.918 -7.540 12.126 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 7 -11.625 -6.307 10.974 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 7 -11.477 -7.563 14.707 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 8 -11.963 0.314 16.817 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 8 -13.616 1.076 17.169 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 8 -12.927 1.946 15.272 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 8 -15.196 -0.230 15.054 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 8 -12.841 0.650 12.201 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 8 -15.565 0.447 12.810 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 8 -14.822 2.736 13.500 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 8 -13.481 -1.891 14.611 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 8 -14.098 -5.820 12.071 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 8 -14.097 -5.217 10.469 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 8 -13.761 -4.555 14.340 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 9 -16.331 3.432 12.893 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 9 -18.152 3.758 13.001 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 9 -17.404 3.979 10.851 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 9 -19.115 1.457 11.233 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 9 -16.378 1.533 8.666 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 9 -19.048 1.164 8.831 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 9 -18.632 3.684 8.669 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 9 -16.604 -0.110 12.031 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 9 -17.327 -4.737 10.600 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 9 -17.609 -5.438 9.069 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 9 -17.785 -2.132 5.657 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 10 -22.116 3.226 8.137 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 10 -23.107 1.704 8.510 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 10 -23.242 1.362 6.752 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 10 -23.696 -0.055 9.029 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 10 -21.543 -1.780 6.352 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 10 -24.000 -2.039 7.751 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 10 -24.409 -0.502 5.826 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 10 -20.957 -0.382 9.520 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 10 -20.434 -5.536 9.044 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 10 -19.894 -1.619 11.378 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 11 -26.749 -1.409 6.273 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 11 -28.348 -1.423 7.210 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 11 -27.631 -3.358 5.918 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 11 -27.426 -3.921 8.809 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 11 -24.735 -5.281 6.469 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 11 -26.726 -6.162 8.239 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 11 -27.828 -5.775 5.964 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 11 -24.854 -2.854 9.006 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 11 -22.000 -7.131 9.790 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 11 -23.327 -2.889 10.949 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 12 -29.659 -7.461 7.509 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 12 -31.218 -7.318 8.501 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 12 -29.853 -9.396 7.962 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 12 -29.356 -9.052 10.704 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 12 -26.357 -9.734 8.381 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 12 -27.763 -10.969 10.363 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 12 -29.207 -11.202 8.129 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 12 -27.430 -6.990 9.983 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 12 -24.172 -6.036 13.273 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 12 -23.251 -7.479 13.298 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 12 -26.278 -5.414 11.845 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 13 -29.630 -13.067 9.866 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 13 -30.965 -13.824 10.906 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 13 -28.903 -15.014 10.500 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 13 -28.970 -14.126 13.314 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 13 -25.678 -14.038 11.448 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 13 -26.825 -15.270 13.573 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 13 -27.568 -16.522 11.385 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 13 -27.873 -11.201 12.439 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 13 -25.316 -9.305 16.161 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 13 -23.914 -9.836 16.980 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 13 -22.498 -14.092 15.406 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 14 -28.261 -17.405 13.931 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 14 -29.362 -18.058 15.270 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 14 -27.201 -18.466 15.787 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 14 -28.686 -16.324 17.439 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 14 -24.901 -16.235 17.006 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 14 -26.862 -16.338 18.991 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 14 -26.560 -18.736 18.201 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 14 -27.751 -13.882 16.032 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 14 -23.531 -11.646 20.959 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 14 -22.709 -15.174 20.549 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 14 -22.808 -13.830 21.540 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 15 -27.364 -19.263 20.281 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 15 -28.713 -19.731 21.463 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 15 -26.654 -19.490 22.490 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 15 -28.580 -17.197 23.151 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 15 -24.885 -16.579 22.993 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 15 -26.961 -16.423 24.750 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 15 -26.101 -18.873 24.735 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 15 -27.477 -15.767 20.602 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 15 -27.799 -10.924 21.269 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 15 -27.103 -9.873 22.421 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 15 -24.552 -12.273 25.635 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 16 -27.420 -19.338 25.643 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 16 -28.393 -18.661 27.067 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 16 -26.760 -18.120 27.839 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 16 -29.284 -16.469 27.306 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 16 -25.980 -14.732 27.452 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 16 -28.476 -14.733 28.657 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 16 -27.140 -16.579 29.791 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 16 -28.648 -15.360 24.652 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 16 -27.787 -8.866 26.657 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 16 -25.923 -10.851 29.081 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 16 -26.820 -9.481 28.735 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 17 -28.410 -16.347 31.250 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 17 -29.976 -15.940 32.153 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 17 -28.800 -14.446 32.879 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 17 -31.448 -13.997 31.502 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 17 -28.745 -11.343 31.279 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 17 -31.418 -11.735 32.065 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 17 -29.966 -12.435 33.975 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 17 -29.803 -13.968 28.763 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 17 -31.727 -7.629 26.973 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 17 -30.703 -7.348 30.459 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 17 -31.668 -6.817 29.200 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 18 -32.868 -12.344 32.283 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 18 -32.719 -11.646 33.994 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 18 -33.566 -10.096 33.293 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 18 -35.633 -11.210 32.159 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 18 -34.348 -8.241 32.207 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 18 -36.468 -9.595 31.724 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 18 -36.544 -8.788 33.806 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 18 -33.658 -11.644 30.987 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 18 -34.467 -11.421 26.351 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 18 -34.938 -9.788 26.146 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 18 -33.684 -12.684 28.508 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 19 -37.958 -8.909 34.495 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 19 -39.652 -9.606 34.775 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 19 -39.693 -7.538 33.809 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 19 -40.639 -9.731 31.968 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 19 -38.883 -6.639 30.606 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 19 -41.296 -7.851 30.473 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 19 -41.191 -6.488 32.756 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 19 -37.802 -9.763 31.168 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 19 -39.166 -8.944 26.223 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 19 -37.128 -11.444 29.491 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 20 -43.997 -7.733 32.426 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 20 -45.283 -9.067 32.405 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 20 -45.407 -7.082 30.915 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 20 -45.405 -9.359 29.383 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 20 -42.937 -6.904 28.209 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 20 -45.191 -7.794 27.482 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 20 -45.406 -6.013 29.673 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 20 -42.284 -9.363 29.773 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 20 -40.141 -12.277 26.736 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 20 -40.607 -11.626 25.222 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 20 -40.777 -11.510 29.159 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 21 -47.903 -7.259 27.936 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 21 -49.658 -7.559 28.451 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 21 -49.356 -6.974 26.169 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 21 -49.392 -10.139 26.576 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 21 -47.671 -8.401 23.690 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 21 -49.518 -10.409 24.226 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 21 -50.758 -8.164 24.316 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 21 -46.570 -9.945 26.955 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 21 -43.985 -13.660 25.138 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 21 -43.771 -14.246 23.548 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 21 -46.165 -11.613 20.396 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 22 -52.216 -9.880 23.668 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 22 -53.621 -11.057 23.940 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 22 -52.773 -11.398 21.912 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 22 -52.211 -13.645 23.955 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 22 -49.860 -12.969 21.058 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 22 -51.371 -15.015 22.238 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 22 -52.878 -13.694 20.701 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 22 -49.572 -11.958 24.578 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 22 -45.378 -17.152 22.968 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 22 -47.761 -16.984 20.216 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 22 -46.732 -17.897 21.167 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 23 -53.126 -15.690 21.263 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 23 -54.777 -16.485 20.988 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 23 -52.789 -17.362 19.915 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 23 -53.111 -18.943 22.613 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 23 -49.750 -18.179 20.915 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 23 -51.295 -20.313 22.029 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 23 -52.073 -19.989 19.700 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 23 -50.946 -16.137 23.578 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 23 -46.066 -20.517 25.610 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 23 -47.286 -21.874 22.455 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 23 -46.600 -22.135 23.959 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 24 -55.461 -23.191 22.897 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 24 -53.895 -22.679 23.743 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 24 -53.651 -24.432 24.256 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 24 -53.666 -23.665 25.526 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 24 -50.204 -23.932 24.067 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 24 -51.680 -24.762 26.231 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 24 -52.160 -26.349 24.268 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 24 -52.535 -21.267 24.393 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 24 -48.466 -20.937 27.618 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 24 -52.200 -19.151 25.628 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 25 -53.881 -24.369 28.687 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 25 -52.725 -23.941 27.304 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 25 -52.385 -24.272 29.841 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 25 -50.639 -25.214 29.137 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 25 -52.622 -27.682 31.172 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 25 -50.257 -26.258 31.219 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 25 -52.082 -24.761 32.118 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 25 -52.964 -27.588 27.431 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 25 -49.272 -31.088 28.314 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 25 -52.318 -29.030 25.563 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 26 -49.256 -24.511 32.224 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 26 -48.157 -23.043 32.496 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 26 -47.396 -25.056 33.452 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 26 -45.924 -24.474 30.756 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 26 -46.464 -27.974 32.002 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 26 -44.442 -26.309 31.320 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 26 -45.201 -25.706 33.779 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 26 -48.251 -26.046 29.809 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 26 -47.709 -27.644 25.405 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 26 -46.375 -28.705 25.568 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 26 -48.872 -26.123 27.193 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 27 -42.554 -24.372 32.311 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 27 -41.691 -22.853 31.697 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 27 -40.652 -25.028 31.428 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 27 -41.159 -23.914 28.871 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 27 -41.793 -27.692 29.449 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 27 -40.111 -26.048 28.036 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 27 -39.092 -26.168 30.406 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 27 -44.200 -25.094 28.871 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 27 -43.151 -28.601 23.087 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 27 -40.235 -29.327 25.150 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 27 -40.914 -29.177 23.628 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 28 -39.803 -25.217 26.702 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 28 -38.322 -24.507 25.842 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 28 -40.158 -25.384 24.553 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 28 -40.211 -22.387 24.430 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 28 -43.472 -24.370 24.530 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 28 -42.075 -22.448 22.998 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 28 -41.284 -24.688 22.296 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 28 -41.719 -22.622 26.987 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 28 -44.337 -18.819 27.996 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 28 -45.488 -18.827 26.730 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 28 -42.383 -20.491 28.498 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 29 -41.384 -23.847 20.725 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 29 -40.342 -23.276 19.302 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 29 -42.659 -23.339 18.887 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 29 -41.718 -20.427 19.525 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 29 -45.202 -21.595 20.293 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 29 -43.929 -19.703 18.837 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 29 -43.864 -21.965 17.471 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 29 -42.205 -21.209 22.096 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 29 -42.914 -17.848 25.334 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 29 -44.418 -17.190 24.848 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 29 -41.483 -19.752 24.243 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 30 -42.661 -19.029 16.007 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 30 -41.015 -18.677 15.234 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 30 -42.921 -17.129 15.038 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 30 -41.063 -15.896 17.002 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 30 -44.887 -15.743 17.505 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 30 -42.617 -14.059 17.194 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 30 -43.378 -14.609 14.900 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 30 -42.194 -17.466 18.877 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 30 -44.570 -13.980 21.924 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 30 -41.637 -17.457 21.287 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 31 -42.387 -12.629 14.881 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 31 -40.969 -11.438 14.834 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 31 -42.703 -10.368 15.623 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 31 -40.269 -10.533 17.313 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 31 -43.792 -10.453 18.911 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 31 -41.208 -9.142 18.929 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 31 -42.494 -8.177 17.106 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 31 -41.398 -12.791 18.511 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 31 -42.579 -10.278 24.671 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 31 -44.390 -8.063 22.413 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 31 -43.515 -8.270 23.825 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 32 -41.645 -6.394 16.654 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 32 -40.172 -5.273 16.565 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 32 -41.868 -4.581 18.036 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 32 -39.340 -5.265 19.385 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 32 -42.614 -6.174 21.100 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 32 -40.256 -4.669 21.471 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 32 -41.855 -3.250 20.155 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 32 -40.764 -8.682 19.522 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 32 -38.767 -10.883 23.415 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 32 -38.687 -10.451 25.066 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 32 -40.609 -6.168 25.824 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 33 -39.174 -0.862 20.656 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 33 -37.362 -1.169 20.883 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 33 -38.245 -0.609 22.863 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 33 -36.297 -2.177 22.863 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 33 -39.197 -3.475 24.925 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 33 -36.616 -2.608 25.211 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 33 -38.025 -0.537 25.208 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 33 -38.307 -4.829 21.891 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 33 -35.319 -8.493 26.859 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 33 -36.152 -5.307 28.424 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 33 -35.168 -6.659 28.358 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 34 -35.576 -0.534 26.356 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 34 -33.840 0.115 26.317 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 34 -33.602 -0.894 27.972 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 34 -31.983 -1.275 25.355 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 34 -32.199 -4.062 27.753 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 34 -30.844 -2.593 25.299 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 34 -29.865 -2.069 26.353 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 34 -32.889 -3.422 24.872 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 34 -32.184 -7.635 22.988 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 34 -31.691 -8.552 24.347 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 34 -33.018 -5.155 22.850 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 35 -27.859 -0.668 28.069 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 35 -29.180 -0.923 29.344 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 35 -27.771 -1.329 30.551 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 35 -25.994 -0.627 30.304 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 35 -28.508 -2.044 32.987 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 35 -25.744 -0.986 32.637 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 35 -27.165 0.938 32.914 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 35 -29.970 -3.903 30.680 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 35 -28.350 -8.404 29.876 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 35 -26.873 -9.171 30.262 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 35 -23.715 -6.066 31.993 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 36 -24.981 4.202 29.187 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 36 -24.037 2.845 30.023 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 36 -22.759 2.858 29.423 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 36 -21.681 4.422 30.189 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 36 -21.423 0.785 29.094 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 36 -19.991 2.656 30.450 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 36 -21.813 1.672 32.093 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 36 -22.414 3.080 27.254 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 36 -16.042 1.208 25.766 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 36 -16.474 0.267 29.261 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 36 -15.454 0.705 28.009 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 37 -20.161 3.245 33.033 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 37 -19.541 4.570 34.173 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 37 -17.829 3.196 33.639 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 37 -17.862 5.907 31.995 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 37 -16.056 2.767 30.898 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 37 -15.491 5.315 31.489 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 37 -15.589 4.026 33.780 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 37 -18.923 4.652 30.153 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 37 -18.467 5.649 25.554 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 37 -16.878 5.104 25.221 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 37 -19.819 5.611 27.797 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 38 -14.905 5.828 34.218 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 38 -14.259 7.556 34.386 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 38 -12.604 6.489 33.570 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 38 -13.596 8.929 32.291 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 38 -12.250 6.023 30.128 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 38 -11.737 8.747 30.756 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 38 -10.580 7.323 32.494 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 38 -15.634 7.357 30.418 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 38 -12.630 8.891 24.438 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 38 -9.906 7.802 26.602 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 38 -10.433 8.740 25.320 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 39 -10.187 9.511 32.765 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 39 -9.885 11.062 33.733 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 39 -8.772 10.802 31.613 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 39 -11.240 12.636 31.285 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 39 -9.655 10.147 28.589 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 39 -10.293 12.980 29.002 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 39 -8.063 12.500 30.196 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 39 -12.690 10.621 30.355 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 39 -15.384 11.907 26.543 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 39 -14.983 12.311 24.933 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 39 -10.314 11.865 24.151 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 40 -7.827 14.939 30.159 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 40 -7.850 16.741 30.595 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 40 -7.239 16.344 28.386 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 40 -10.095 17.463 28.758 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 40 -9.230 15.161 25.852 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 40 -10.117 17.752 26.335 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 40 -7.474 17.684 26.648 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 40 -10.841 15.058 28.881 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 40 -15.329 13.988 27.843 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 40 -15.358 14.166 26.140 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 40 -13.351 14.314 29.530 1.00 0.00 H Missing atom added: ATOM 24 H5'1 RG3 A 41 -8.732 19.895 26.373 1.00 0.00 H Missing atom added: ATOM 25 H5'2 RG3 A 41 -8.469 21.631 26.963 1.00 0.00 H Missing atom added: ATOM 26 H4' RG3 A 41 -9.160 21.151 24.665 1.00 0.00 H Missing atom added: ATOM 27 H3' RG3 A 41 -11.642 21.972 26.265 1.00 0.00 H Missing atom added: ATOM 30 H1' RG3 A 41 -11.627 19.409 23.300 1.00 0.00 H Missing atom added: ATOM 28 H2' RG3 A 41 -12.818 21.896 24.118 1.00 0.00 H Missing atom added: ATOM 29 HO'2 RG3 A 41 -10.606 22.606 23.212 1.00 0.00 H Missing atom added: ATOM 31 H8 RG3 A 41 -11.801 18.508 26.521 1.00 0.00 H Missing atom added: ATOM 34 H1 RG3 A 41 -18.085 18.364 23.793 1.00 0.00 H Missing atom added: ATOM 32 H21 RG3 A 41 -16.184 20.597 21.627 1.00 0.00 H Missing atom added: ATOM 33 H22 RG3 A 41 -17.657 20.134 22.272 1.00 0.00 H Missing atom added: ATOM 35 H3T RG3 A 41 -10.206 23.117 24.228 1.00 0.00 H Missing atom added: ATOM 3 OP3 C A 1 -27.060 17.644 23.354 1.00 0.00 O Number of atoms: 1319 Number of residues: 41 Building intraresidual bonds... Building intraresidual angles... Building intraresidual dihedrals... Building intraresidual impropers... Building interresidual bonds... 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: 1420 Number of angles built: 2538 Number of dihedrals built: 3858 Number of impropers built: 279 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- Atom's 558 C6 residue renamed to RC3 Atom's 557 C5 residue renamed to RC3 Atom's 556 N4 residue renamed to RC3 Atom's 555 C4 residue renamed to RC3 Atom's 554 N3 residue renamed to RC3 Atom's 553 O2 residue renamed to RC3 Atom's 552 C2 residue renamed to RC3 Atom's 551 N1 residue renamed to RC3 Atom's 550 C1' residue renamed to RC3 Atom's 549 O2' residue renamed to RC3 Atom's 548 C2' residue renamed to RC3 Atom's 547 O3' residue renamed to RC3 Atom's 546 C3' residue renamed to RC3 Atom's 545 O4' residue renamed to RC3 Atom's 544 C4' residue renamed to RC3 Atom's 543 C5' residue renamed to RC3 Atom's 542 O5' residue renamed to RC3 Atom's 541 OP2 residue renamed to RC3 Atom's 540 OP1 residue renamed to RC3 Atom's 539 P residue renamed to RC3 Missing atom added: ATOM 24 H5'1 G B 1 -5.533 -11.744 -7.174 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 1 -6.462 -10.506 -6.156 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 1 -6.839 -12.908 -5.896 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 1 -5.979 -11.880 -3.479 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 1 -4.470 -15.252 -4.816 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 1 -6.041 -14.193 -2.656 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 1 -7.617 -14.652 -4.552 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 1 -3.029 -12.014 -4.603 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 1 -1.023 -15.958 0.631 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 1 -3.883 -17.697 -0.811 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 1 -2.956 -17.329 0.532 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 2 -8.732 -14.446 -3.075 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 2 -9.996 -13.901 -1.833 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 2 -9.228 -15.952 -1.266 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 2 -8.596 -13.735 0.672 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 2 -6.166 -16.611 0.230 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 2 -7.681 -15.323 2.178 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 2 -9.167 -17.014 1.086 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 2 -6.423 -13.318 -0.848 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 2 -2.758 -11.116 1.159 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 2 -2.181 -12.298 2.254 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 2 -4.743 -11.235 -0.547 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 3 -10.112 -17.077 2.669 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 3 -11.237 -16.578 4.055 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 3 -9.523 -18.237 4.476 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 3 -9.125 -15.965 6.107 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 3 -6.030 -17.454 4.497 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 3 -7.129 -16.987 6.966 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 3 -8.073 -19.188 6.027 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 3 -7.882 -14.716 3.622 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 3 -5.244 -10.887 4.474 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 3 -3.970 -11.530 5.419 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 3 -7.334 -12.083 3.439 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 4 -8.174 -19.156 8.258 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 4 -9.025 -19.205 9.904 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 4 -6.798 -19.494 10.224 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 4 -7.991 -16.787 11.129 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 4 -4.385 -17.008 10.048 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 4 -6.001 -16.180 12.179 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 4 -5.581 -18.619 12.477 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 4 -7.161 -15.959 8.235 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 4 -4.029 -12.212 10.023 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 4 -7.428 -13.683 7.308 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 5 -6.517 -17.654 14.677 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 5 -7.875 -17.356 15.902 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 5 -6.191 -16.042 16.458 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 5 -8.590 -14.563 15.053 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 5 -4.937 -13.284 15.241 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 5 -7.426 -12.527 16.015 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 5 -6.618 -14.279 17.814 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 5 -7.518 -14.485 12.746 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 5 -5.103 -8.191 11.446 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 5 -3.889 -8.988 14.790 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 5 -4.366 -7.836 13.674 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 6 -10.754 -11.684 18.058 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 6 -10.001 -11.469 16.379 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 6 -9.558 -9.625 17.280 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 6 -10.472 -8.981 16.950 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 6 -6.689 -8.966 15.912 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 6 -8.848 -7.195 16.811 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 6 -7.870 -8.113 18.882 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 6 -9.096 -10.638 14.856 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 6 -7.465 -5.208 11.010 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 6 -5.954 -4.543 14.261 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 6 -6.653 -3.958 12.857 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 7 -13.591 -7.068 19.696 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 7 -14.225 -8.144 18.327 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 7 -14.662 -5.745 18.308 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 7 -15.812 -6.044 17.798 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 7 -13.355 -4.274 15.565 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 7 -15.758 -3.879 16.711 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 7 -13.884 -3.406 18.507 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 7 -14.433 -7.910 15.375 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 7 -17.765 -7.774 11.784 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 7 -18.488 -6.481 10.935 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 7 -17.016 -2.278 12.599 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 8 -14.962 -3.630 20.371 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 8 -16.711 -3.025 20.473 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 8 -16.187 -1.597 19.307 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 8 -18.545 -3.357 19.403 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 8 -17.434 -2.126 15.994 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 8 -19.573 -1.913 17.736 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 8 -17.790 -0.149 18.446 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 8 -17.671 -5.749 17.192 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 8 -20.374 -7.237 13.500 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 8 -21.040 -6.396 12.171 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 8 -20.560 -1.694 12.685 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 9 -19.014 -0.789 18.366 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 9 -20.453 -0.083 19.296 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 9 -21.367 0.135 17.762 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 9 -22.181 -1.917 20.111 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 9 -23.733 -2.158 16.970 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 9 -23.394 -2.938 19.920 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 9 -24.415 -2.183 20.293 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 9 -22.151 -4.995 18.494 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 9 -22.661 -7.738 14.477 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 9 -23.083 -7.356 12.867 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 9 -23.921 -2.704 12.356 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 10 -25.607 -0.525 19.524 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 10 -26.138 -0.347 21.291 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 10 -26.688 -2.279 20.948 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 10 -24.824 -1.519 23.212 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 10 -25.012 -5.047 21.361 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 10 -25.523 -3.937 23.922 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 10 -27.646 -3.289 22.533 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 10 -22.724 -3.319 23.591 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 10 -19.544 -6.978 22.925 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 10 -19.535 -8.309 21.855 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 10 -23.556 -8.526 19.327 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 11 -26.832 -1.241 27.866 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 11 -25.024 -1.429 27.503 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 11 -25.121 -2.459 29.219 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 11 -24.475 -3.939 26.503 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 11 -25.850 -5.819 29.372 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 11 -24.024 -5.825 27.075 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 11 -22.848 -5.302 28.633 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 11 -27.389 -4.060 26.385 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 11 -29.478 -7.406 23.855 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 11 -28.971 -8.829 24.659 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 11 -29.051 -4.892 24.463 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 12 -22.689 -6.285 28.058 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 12 -23.553 -5.091 29.182 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 12 -22.668 -7.526 29.260 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 12 -21.460 -6.833 26.678 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 12 -22.807 -9.792 28.079 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 12 -21.249 -8.590 25.982 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 12 -19.912 -9.229 27.321 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 12 -23.547 -6.700 26.458 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 12 -25.568 -10.904 24.361 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 12 -24.995 -6.352 24.555 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 13 -18.229 -9.429 27.643 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 13 -16.946 -9.132 26.338 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 13 -17.714 -11.309 26.337 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 13 -18.385 -9.810 23.857 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 13 -20.785 -12.470 25.311 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 13 -19.189 -12.062 23.075 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 13 -17.562 -12.905 24.975 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 13 -20.798 -9.007 24.916 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 13 -24.234 -7.992 21.828 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 13 -24.615 -9.535 21.193 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 13 -22.470 -7.315 23.646 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 14 -16.875 -13.395 22.685 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 14 -15.586 -13.288 21.358 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 14 -16.782 -15.012 20.850 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 14 -17.004 -12.553 18.971 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 14 -19.802 -15.072 19.318 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 14 -18.157 -13.996 17.414 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 14 -16.797 -15.843 18.651 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 14 -18.814 -11.748 20.314 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 14 -22.816 -12.060 17.006 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 14 -20.078 -9.681 19.821 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 15 -16.220 -15.603 16.571 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 15 -14.894 -15.299 15.314 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 15 -16.906 -16.361 14.570 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 15 -16.685 -13.664 13.393 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 15 -20.114 -14.945 14.516 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 15 -18.751 -14.156 12.195 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 15 -18.096 -16.612 12.596 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 15 -18.203 -12.529 16.133 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 15 -23.305 -9.694 12.519 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 15 -22.924 -13.042 11.130 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 15 -23.361 -11.441 10.916 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 16 -17.742 -16.142 10.795 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 16 -17.048 -15.856 9.100 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 16 -19.271 -15.918 8.965 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 16 -17.908 -13.262 8.366 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 16 -21.433 -13.328 9.791 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 16 -19.961 -12.377 7.577 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 16 -20.756 -14.631 7.004 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 16 -18.345 -12.367 11.367 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 16 -19.302 -7.605 11.998 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 16 -20.590 -6.612 11.473 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 16 -23.594 -9.012 8.677 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 17 -19.513 -15.040 4.573 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 17 -19.318 -13.254 4.119 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 17 -20.588 -13.045 3.303 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 17 -18.186 -11.684 4.252 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 17 -21.493 -9.991 4.882 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 17 -19.123 -9.600 3.556 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 17 -20.624 -11.058 2.060 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 17 -18.661 -11.534 6.722 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 17 -17.480 -7.634 9.433 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 17 -18.084 -6.037 9.478 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 17 -21.528 -5.397 6.265 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 18 -18.644 -10.424 0.846 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 18 -16.961 -10.176 0.111 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 18 -18.099 -8.206 0.214 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 18 -15.782 -8.422 2.227 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 18 -18.946 -6.264 2.811 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 18 -16.165 -5.989 2.559 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 18 -17.101 -6.117 0.137 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 18 -17.613 -9.169 4.081 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 18 -17.644 -5.032 7.234 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 18 -17.118 -9.530 6.476 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 19 -15.050 -5.453 -0.312 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 19 -13.218 -5.190 -0.249 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 19 -14.118 -3.243 0.180 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 19 -12.341 -4.563 2.203 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 19 -15.213 -2.371 3.381 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 19 -12.398 -2.650 3.553 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 19 -12.987 -1.313 1.517 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 19 -14.782 -6.025 3.407 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 19 -14.050 -3.011 9.513 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 19 -13.986 -0.276 7.105 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 19 -13.487 -0.908 8.571 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 20 -11.570 -0.672 1.488 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 20 -9.789 -0.289 1.822 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 20 -10.644 1.070 3.096 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 20 -8.923 -1.333 4.115 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 20 -11.387 0.367 6.360 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 20 -8.741 -0.220 6.230 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 20 -9.095 1.943 4.872 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 20 -11.188 -2.896 4.398 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 20 -10.526 -3.775 11.169 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 20 -10.297 -0.173 10.664 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 20 -9.871 -1.527 11.549 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 21 -6.295 1.390 5.667 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 21 -4.547 1.060 5.146 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 21 -4.927 1.578 7.465 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 21 -4.316 -1.362 7.006 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 21 -6.665 -0.450 9.743 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 21 -4.358 -1.598 9.435 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 21 -4.033 1.035 9.453 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 21 -7.000 -1.804 6.534 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 21 -8.914 -6.088 7.111 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 21 -8.830 -6.296 8.808 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 21 -8.124 -4.080 5.625 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 22 -2.024 -0.262 9.976 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 22 -0.330 -0.989 9.783 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 22 -1.103 -1.668 11.737 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 22 -0.646 -3.791 9.596 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 22 -3.288 -4.081 12.487 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 22 -0.987 -5.450 11.320 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 22 -0.102 -3.807 12.932 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 22 -3.456 -3.684 9.106 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 22 -6.414 -7.150 7.851 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 22 -6.538 -8.062 9.295 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 22 -5.057 -4.965 7.357 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 23 1.595 -4.370 13.049 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 23 2.757 -5.707 12.503 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 23 2.166 -6.732 13.953 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 23 2.035 -7.540 10.929 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 23 -0.126 -9.189 13.520 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 23 1.744 -9.820 11.653 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 23 2.989 -8.991 13.798 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 23 -0.463 -6.823 10.549 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 23 -3.269 -9.742 7.819 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 23 -3.811 -11.348 8.031 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 23 -2.222 -13.184 12.118 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 24 4.621 -10.669 11.997 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 24 5.814 -10.923 10.603 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 24 4.714 -12.842 11.534 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 24 3.888 -12.333 8.775 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 24 1.321 -13.588 11.355 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 24 2.591 -14.480 9.126 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 24 4.353 -14.685 11.146 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 24 1.505 -10.448 9.970 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 24 -3.060 -14.190 6.466 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 24 -1.005 -16.632 8.229 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 24 -1.965 -16.247 6.914 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 25 3.970 -15.580 9.407 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 25 5.333 -16.712 8.866 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 25 3.027 -17.527 9.004 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 25 3.688 -16.952 6.078 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 25 0.183 -16.381 7.545 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 25 1.474 -17.871 5.577 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 25 1.780 -19.106 7.847 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 25 2.352 -13.818 6.635 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 25 -3.009 -14.547 2.407 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 25 -2.841 -17.684 4.255 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 25 -3.254 -16.863 2.857 1.00 0.00 H Missing atom added: ATOM 21 H5'1 RC3 B 26 1.934 -20.292 6.083 1.00 0.00 H Missing atom added: ATOM 22 H5'2 RC3 B 26 3.077 -21.750 6.017 1.00 0.00 H Missing atom added: ATOM 23 H4' RC3 B 26 0.602 -21.651 5.459 1.00 0.00 H Missing atom added: ATOM 24 H3' RC3 B 26 2.095 -20.759 2.828 1.00 0.00 H Missing atom added: ATOM 27 H1' RC3 B 26 -1.332 -19.465 4.034 1.00 0.00 H Missing atom added: ATOM 25 H2' RC3 B 26 -0.338 -20.836 1.967 1.00 0.00 H Missing atom added: ATOM 26 HO'2 RC3 B 26 -0.393 -22.675 3.908 1.00 0.00 H Missing atom added: ATOM 30 H6 RC3 B 26 1.683 -18.185 4.230 1.00 0.00 H Missing atom added: ATOM 28 H41 RC3 B 26 1.810 -14.471 1.306 1.00 0.00 H Missing atom added: ATOM 29 H42 RC3 B 26 0.407 -14.712 0.355 1.00 0.00 H Missing atom added: ATOM 31 H5 RC3 B 26 2.779 -15.917 3.263 1.00 0.00 H Missing atom added: ATOM 32 H3T RC3 B 26 0.831 -22.679 2.538 1.00 0.00 H Missing atom added: ATOM 876 OP3 G B 1 -3.243 -10.002 -7.918 1.00 0.00 O Number of atoms: 842 Number of residues: 26 Building intraresidual bonds... Building intraresidual angles... Building intraresidual dihedrals... Building intraresidual impropers... Building interresidual bonds... 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: 908 Number of angles built: 1621 Number of dihedrals built: 2463 Number of impropers built: 179 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 2327393 Number of van der Waals pairs: 309093 Number of H-bonds built: 86 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 22 Number of molecules (chains) read: 2 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 9301774477.4254 kcal/mol (9114172883.5816 without restraints) Performing minimization step: 2. Total energy = 7855404673.4740 kcal/mol (7700503677.3284 without restraints) Performing minimization step: 3. Total energy = 6659276166.6139 kcal/mol (6530961477.4160 without restraints) Performing minimization step: 4. Total energy = 5666864200.1082 kcal/mol (5560222963.0586 without restraints) Performing minimization step: 5. Total energy = 4840730653.4392 kcal/mol (4751803245.2893 without restraints) Performing minimization step: 6. Total energy = 4150660135.1508 kcal/mol (4076246144.1405 without restraints) Performing minimization step: 7. Total energy = 3572200686.3945 kcal/mol (3509706751.1972 without restraints) Performing minimization step: 8. Total energy = 3085517380.7148 kcal/mol (3032837435.7686 without restraints) Performing minimization step: 9. Total energy = 2674488290.7572 kcal/mol (2629908927.0767 without restraints) Performing minimization step: 10. Total energy = 2325988317.2579 kcal/mol (2288113612.4760 without restraints) Performing minimization step: 11. Total energy = 2029318668.1390 kcal/mol (1997010112.6709 without restraints) Performing minimization step: 12. Total energy = 1775749385.5839 kcal/mol (1748077537.8485 without restraints) Performing minimization step: 13. Total energy = 1558149964.6814 kcal/mol (1534355274.6329 without restraints) Performing minimization step: 14. Total energy = 1370689219.3961 kcal/mol (1350150102.6898 without restraints) Performing minimization step: 15. Total energy = 1208590350.6256 kcal/mol (1190797092.4442 without restraints) Performing minimization step: 16. Total energy = 1067930778.3730 kcal/mol (1052464208.1440 without restraints) Performing minimization step: 17. Total energy = 945478847.5438 kcal/mol (931992971.7199 without restraints) Performing minimization step: 18. Total energy = 838561204.1726 kcal/mol (826769141.5928 without restraints) Performing minimization step: 19. Total energy = 744955720.2507 kcal/mol (734618385.1316 without restraints) Performing minimization step: 20. Total energy = 662805571.6144 kcal/mol (653722620.7470 without restraints) Performing minimization step: 21. Total energy = 590550636.4280 kcal/mol (582553258.0575 without restraints) Performing minimization step: 22. Total energy = 526872891.6641 kcal/mol (519818072.2575 without restraints) Performing minimization step: 23. Total energy = 470652981.1271 kcal/mol (464418944.1558 without restraints) Performing minimization step: 24. Total energy = 420935607.9407 kcal/mol (415418173.9620 without restraints) Performing minimization step: 25. Total energy = 376901848.4167 kcal/mol (372011515.6091 without restraints) Performing minimization step: 26. Total energy = 337846875.6545 kcal/mol (333506462.8663 without restraints) Performing minimization step: 27. Total energy = 303161911.1833 kcal/mol (299304640.9502 without restraints) Performing minimization step: 28. Total energy = 272319491.0290 kcal/mol (268887418.2687 without restraints) Performing minimization step: 29. Total energy = 244861344.2185 kcal/mol (241804058.3219 without restraints) Performing minimization step: 30. Total energy = 220388345.3616 kcal/mol (217661890.2498 without restraints) Performing minimization step: 31. Total energy = 198552127.6674 kcal/mol (196118097.1485 without restraints) Performing minimization step: 32. Total energy = 179048037.0232 kcal/mol (176872812.3981 without restraints) Performing minimization step: 33. Total energy = 161609178.7722 kcal/mol (159663282.8765 without restraints) Performing minimization step: 34. Total energy = 146001362.3630 kcal/mol (144258909.6961 without restraints) Performing minimization step: 35. Total energy = 132018789.5603 kcal/mol (130457016.2965 without restraints) Performing minimization step: 36. Total energy = 119480362.7807 kcal/mol (118079223.6367 without restraints) Performing minimization step: 37. Total energy = 108226513.8656 kcal/mol (106968335.2466 without restraints) Performing minimization step: 38. Total energy = 98116472.0208 kcal/mol (96985652.7834 without restraints) Performing minimization step: 39. Total energy = 89025904.1228 kcal/mol (88008656.8067 without restraints) Performing minimization step: 40. Total energy = 80844872.0577 kcal/mol (79928998.6390 without restraints) Performing minimization step: 41. Total energy = 73476060.9500 kcal/mol (72650758.1436 without restraints) Performing minimization step: 42. Total energy = 66833239.5751 kcal/mol (66088929.5023 without restraints) Performing minimization step: 43. Total energy = 60839920.3236 kcal/mol (60168103.0084 without restraints) Performing minimization step: 44. Total energy = 55428191.0839 kcal/mol (54821315.7758 without restraints) Performing minimization step: 45. Total energy = 50537695.5472 kcal/mol (49989048.3172 without restraints) Performing minimization step: 46. Total energy = 46114741.9021 kcal/mol (45618347.3253 without restraints) Performing minimization step: 47. Total energy = 42111522.7755 kcal/mol (41662057.8322 without restraints) Performing minimization step: 48. Total energy = 38485431.7246 kcal/mol (38078150.3133 without restraints) Performing minimization step: 49. Total energy = 35198463.6458 kcal/mol (34829130.3260 without restraints) Performing minimization step: 50. Total energy = 32216688.2197 kcal/mol (31881519.9933 without restraints) Performing minimization step: 51. Total energy = 29509787.0057 kcal/mol (29205402.1087 without restraints) Performing minimization step: 52. Total energy = 27050646.0740 kcal/mol (26774018.8889 without restraints) Performing minimization step: 53. Total energy = 24814997.1512 kcal/mol (24563418.4681 without restraints) Performing minimization step: 54. Total energy = 22781101.1956 kcal/mol (22552143.1554 without restraints) Performing minimization step: 55. Total energy = 20929469.1149 kcal/mol (20720954.2522 without restraints) Performing minimization step: 56. Total energy = 19242615.0412 kcal/mol (19052588.9229 without restraints) Performing minimization step: 57. Total energy = 17704838.1639 kcal/mol (17531545.1845 without restraints) Performing minimization step: 58. Total energy = 16302029.6441 kcal/mol (16143891.5926 without restraints) Performing minimization step: 59. Total energy = 15021501.5725 kcal/mol (14877098.6390 without restraints) Performing minimization step: 60. Total energy = 13851835.3297 kcal/mol (13719889.2583 without restraints) Performing minimization step: 61. Total energy = 12782747.0233 kcal/mol (12662106.1562 without restraints) Performing minimization step: 62. Total energy = 11804967.9859 kcal/mol (11694593.9757 without restraints) Performing minimization step: 63. Total energy = 10910138.5580 kcal/mol (10809094.5519 without restraints) Performing minimization step: 64. Total energy = 10090713.6008 kcal/mol (9998153.7259 without restraints) Performing minimization step: 65. Total energy = 9339878.3775 kcal/mol (9255038.3756 without restraints) Performing minimization step: 66. Total energy = 8651473.6053 kcal/mol (8573662.4858 without restraints) Performing minimization step: 67. Total energy = 8019928.6260 kcal/mol (7948521.2196 without restraints) Performing minimization step: 68. Total energy = 7440201.7707 kcal/mol (7374632.0825 without restraints) Performing minimization step: 69. Total energy = 6907727.1028 kcal/mol (6847482.3735 without restraints) Performing minimization step: 70. Total energy = 6418366.8219 kcal/mol (6362982.2190 without restraints) Performing minimization step: 71. Total energy = 5968368.6956 kcal/mol (5917422.5634 without restraints) Performing minimization step: 72. Total energy = 5554327.9608 kcal/mol (5507437.5665 without restraints) Performing minimization step: 73. Total energy = 5173153.1985 kcal/mol (5129970.9227 without restraints) Performing minimization step: 74. Total energy = 4822035.7505 kcal/mol (4782245.6695 without restraints) Performing minimization step: 75. Total energy = 4498422.2850 kcal/mol (4461737.1061 without restraints) Performing minimization step: 76. Total energy = 4199990.1757 kcal/mol (4166148.4838 without restraints) Performing minimization step: 77. Total energy = 3924625.3883 kcal/mol (3893389.1739 without restraints) Performing minimization step: 78. Total energy = 3670402.6043 kcal/mol (3641555.0395 without restraints) Performing minimization step: 79. Total energy = 3435567.3477 kcal/mol (3408910.7864 without restraints) Performing minimization step: 80. Total energy = 3218519.8987 kcal/mol (3193874.0758 without restraints) Performing minimization step: 81. Total energy = 3017800.8081 kcal/mol (2995001.2174 without restraints) Performing minimization step: 82. Total energy = 2832077.8448 kcal/mol (2810974.2771 without restraints) Performing minimization step: 83. Total energy = 2660134.2274 kcal/mol (2640589.4516 without restraints) Performing minimization step: 84. Total energy = 2500858.0059 kcal/mol (2482746.5795 without restraints) Performing minimization step: 85. Total energy = 2353232.4773 kcal/mol (2336439.6712 without restraints) Performing minimization step: 86. Total energy = 2216327.5273 kcal/mol (2200748.3551 without restraints) Performing minimization step: 87. Total energy = 2089291.8052 kcal/mol (2074830.1452 without restraints) Performing minimization step: 88. Total energy = 1971345.6476 kcal/mol (1957913.4489 without restraints) Performing minimization step: 89. Total energy = 1861774.6748 kcal/mol (1849291.2385 without restraints) Performing minimization step: 90. Total energy = 1759923.9945 kcal/mol (1748315.3226 without restraints) Performing minimization step: 91. Total energy = 1665192.9497 kcal/mol (1654391.1557 without restraints) Performing minimization step: 92. Total energy = 1577030.3594 kcal/mol (1566973.1333 without restraints) Performing minimization step: 93. Total energy = 1494930.2031 kcal/mol (1485560.3267 without restraints) Performing minimization step: 94. Total energy = 1418427.7046 kcal/mol (1409692.6108 without restraints) Performing minimization step: 95. Total energy = 1347095.7766 kcal/mol (1338947.1504 without restraints) Performing minimization step: 96. Total energy = 1280541.7925 kcal/mol (1272935.2075 without restraints) Performing minimization step: 97. Total energy = 1218404.6521 kcal/mol (1211299.2403 without restraints) Performing minimization step: 98. Total energy = 1160352.1132 kcal/mol (1153710.2653 without restraints) Performing minimization step: 99. Total energy = 1106078.3656 kcal/mol (1099865.4574 without restraints) Performing minimization step: 100. Total energy = 1055301.8213 kcal/mol (1049485.9649 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 101. Total energy = 1007763.1027 kcal/mol (1002314.9204 without restraints) Performing minimization step: 102. Total energy = 963223.2096 kcal/mol (958115.6272 without restraints) Performing minimization step: 103. Total energy = 921461.8475 kcal/mol (916669.9057 without restraints) Performing minimization step: 104. Total energy = 882275.9029 kcal/mol (877776.5857 without restraints) Performing minimization step: 105. Total energy = 845478.0506 kcal/mol (841250.1281 without restraints) Performing minimization step: 106. Total energy = 810895.4809 kcal/mol (806919.3660 without restraints) Performing minimization step: 107. Total energy = 778368.7388 kcal/mol (774626.3558 without restraints) Performing minimization step: 108. Total energy = 747750.6584 kcal/mol (744225.3229 without restraints) Performing minimization step: 109. Total energy = 718905.3893 kcal/mol (715581.6985 without restraints) Performing minimization step: 110. Total energy = 691707.5038 kcal/mol (688571.2352 without restraints) Performing minimization step: 111. Total energy = 666041.1786 kcal/mol (663079.1978 without restraints) Performing minimization step: 112. Total energy = 641799.4425 kcal/mol (638999.6181 without restraints) Performing minimization step: 113. Total energy = 618883.4863 kcal/mol (616234.6118 without restraints) Performing minimization step: 114. Total energy = 597202.0279 kcal/mol (594693.7496 without restraints) Performing minimization step: 115. Total energy = 576670.7277 kcal/mol (574293.4791 without restraints) Performing minimization step: 116. Total energy = 557211.6509 kcal/mol (554956.5910 without restraints) Performing minimization step: 117. Total energy = 538752.7709 kcal/mol (536611.7287 without restraints) Performing minimization step: 118. Total energy = 521227.5118 kcal/mol (519192.9340 without restraints) Performing minimization step: 119. Total energy = 504574.3264 kcal/mol (502639.2296 without restraints) Performing minimization step: 120. Total energy = 488736.3059 kcal/mol (486894.2323 without restraints) Performing minimization step: 121. Total energy = 473660.8196 kcal/mol (471905.7964 without restraints) Performing minimization step: 122. Total energy = 459299.1822 kcal/mol (457625.6837 without restraints) Performing minimization step: 123. Total energy = 445606.3461 kcal/mol (444009.2585 without restraints) Performing minimization step: 124. Total energy = 432540.6170 kcal/mol (431015.2067 without restraints) Performing minimization step: 125. Total energy = 420063.3912 kcal/mol (418605.2744 without restraints) Performing minimization step: 126. Total energy = 408138.9120 kcal/mol (406744.0277 without restraints) Performing minimization step: 127. Total energy = 396734.0474 kcal/mol (395398.6316 without restraints) Performing minimization step: 128. Total energy = 385818.0809 kcal/mol (384538.6433 without restraints) Performing minimization step: 129. Total energy = 375362.5220 kcal/mol (374135.8242 without restraints) Performing minimization step: 130. Total energy = 365340.9292 kcal/mol (364163.9649 without restraints) Performing minimization step: 131. Total energy = 355728.7477 kcal/mol (354598.7243 without restraints) Performing minimization step: 132. Total energy = 346503.1599 kcal/mol (345417.4813 without restraints) Performing minimization step: 133. Total energy = 337642.9478 kcal/mol (336599.1992 without restraints) Performing minimization step: 134. Total energy = 329128.3660 kcal/mol (328124.2992 without restraints) Performing minimization step: 135. Total energy = 320941.0252 kcal/mol (319974.5456 without restraints) Performing minimization step: 136. Total energy = 313063.7852 kcal/mol (312132.9398 without restraints) Performing minimization step: 137. Total energy = 305480.6575 kcal/mol (304583.6235 without restraints) Performing minimization step: 138. Total energy = 298176.7134 kcal/mol (297311.7883 without restraints) Performing minimization step: 139. Total energy = 291138.0028 kcal/mol (290303.5947 without restraints) Performing minimization step: 140. Total energy = 284351.4773 kcal/mol (283546.0968 without restraints) Performing minimization step: 141. Total energy = 277804.9213 kcal/mol (277027.1733 without restraints) Performing minimization step: 142. Total energy = 271486.8881 kcal/mol (270735.4646 without restraints) Performing minimization step: 143. Total energy = 265386.6410 kcal/mol (264660.3146 without restraints) Performing minimization step: 144. Total energy = 259494.1009 kcal/mol (258791.7189 without restraints) Performing minimization step: 145. Total energy = 253799.7950 kcal/mol (253120.2736 without restraints) Performing minimization step: 146. Total energy = 248294.8147 kcal/mol (247637.1340 without restraints) Performing minimization step: 147. Total energy = 242970.7729 kcal/mol (242333.9722 without restraints) Performing minimization step: 148. Total energy = 237819.7656 kcal/mol (237202.9392 without restraints) Performing minimization step: 149. Total energy = 232834.3388 kcal/mol (232236.6323 without restraints) Performing minimization step: 150. Total energy = 228007.4551 kcal/mol (227428.0615 without restraints) Performing minimization step: 151. Total energy = 223332.4661 kcal/mol (222770.6224 without restraints) Performing minimization step: 152. Total energy = 218803.0844 kcal/mol (218258.0690 without restraints) Performing minimization step: 153. Total energy = 214413.3596 kcal/mol (213884.4891 without restraints) Performing minimization step: 154. Total energy = 210157.6552 kcal/mol (209644.2820 without restraints) Performing minimization step: 155. Total energy = 206030.6284 kcal/mol (205532.1386 without restraints) Performing minimization step: 156. Total energy = 202027.2095 kcal/mol (201543.0201 without restraints) Performing minimization step: 157. Total energy = 198142.5859 kcal/mol (197672.1435 without restraints) Performing minimization step: 158. Total energy = 194372.1855 kcal/mol (193914.9640 without restraints) Performing minimization step: 159. Total energy = 190711.6603 kcal/mol (190267.1592 without restraints) Performing minimization step: 160. Total energy = 187156.8737 kcal/mol (186724.6167 without restraints) Performing minimization step: 161. Total energy = 183703.8871 kcal/mol (183283.4206 without restraints) Performing minimization step: 162. Total energy = 180348.9482 kcal/mol (179939.8399 without restraints) Performing minimization step: 163. Total energy = 177088.4798 kcal/mol (176690.3173 without restraints) Performing minimization step: 164. Total energy = 173919.0692 kcal/mol (173531.4592 without restraints) Performing minimization step: 165. Total energy = 170837.4598 kcal/mol (170460.0267 without restraints) Performing minimization step: 166. Total energy = 167840.5409 kcal/mol (167472.9259 without restraints) Performing minimization step: 167. Total energy = 164925.3404 kcal/mol (164567.2005 without restraints) Performing minimization step: 168. Total energy = 162089.0165 kcal/mol (161740.0237 without restraints) Performing minimization step: 169. Total energy = 159328.8511 kcal/mol (158988.6918 without restraints) Performing minimization step: 170. Total energy = 156642.2425 kcal/mol (156310.6158 without restraints) Performing minimization step: 171. Total energy = 154026.6993 kcal/mol (153703.3178 without restraints) Performing minimization step: 172. Total energy = 151479.8356 kcal/mol (151164.4236 without restraints) Performing minimization step: 173. Total energy = 148999.3643 kcal/mol (148691.6575 without restraints) Performing minimization step: 174. Total energy = 146583.0926 kcal/mol (146282.8375 without restraints) Performing minimization step: 175. Total energy = 144228.9171 kcal/mol (143935.8706 without restraints) Performing minimization step: 176. Total energy = 141934.8189 kcal/mol (141648.7476 without restraints) Performing minimization step: 177. Total energy = 139698.8601 kcal/mol (139419.5397 without restraints) Performing minimization step: 178. Total energy = 137519.1795 kcal/mol (137246.3949 without restraints) Performing minimization step: 179. Total energy = 135393.9890 kcal/mol (135127.5332 without restraints) Performing minimization step: 180. Total energy = 133321.5699 kcal/mol (133061.2440 without restraints) Performing minimization step: 181. Total energy = 131300.2699 kcal/mol (131045.8827 without restraints) Performing minimization step: 182. Total energy = 129328.4994 kcal/mol (129079.8669 without restraints) Performing minimization step: 183. Total energy = 127404.7294 kcal/mol (127161.6744 without restraints) Performing minimization step: 184. Total energy = 125527.4879 kcal/mol (125289.8402 without restraints) Performing minimization step: 185. Total energy = 123695.3583 kcal/mol (123462.9536 without restraints) Performing minimization step: 186. Total energy = 121906.9757 kcal/mol (121679.6561 without restraints) Performing minimization step: 187. Total energy = 120161.0257 kcal/mol (119938.6388 without restraints) Performing minimization step: 188. Total energy = 118456.2416 kcal/mol (118238.6406 without restraints) Performing minimization step: 189. Total energy = 116791.4020 kcal/mol (116578.4455 without restraints) Performing minimization step: 190. Total energy = 115165.3300 kcal/mol (114956.8814 without restraints) Performing minimization step: 191. Total energy = 113576.8895 kcal/mol (113372.8172 without restraints) Performing minimization step: 192. Total energy = 112024.9852 kcal/mol (111825.1622 without restraints) Performing minimization step: 193. Total energy = 110508.5601 kcal/mol (110312.8639 without restraints) Performing minimization step: 194. Total energy = 109026.5938 kcal/mol (108834.9060 without restraints) Performing minimization step: 195. Total energy = 107578.1011 kcal/mol (107390.3073 without restraints) Performing minimization step: 196. Total energy = 106162.1306 kcal/mol (105978.1208 without restraints) Performing minimization step: 197. Total energy = 104777.7641 kcal/mol (104597.4316 without restraints) Performing minimization step: 198. Total energy = 103424.1129 kcal/mol (103247.3544 without restraints) Performing minimization step: 199. Total energy = 102100.3192 kcal/mol (101927.0353 without restraints) Performing minimization step: 200. Total energy = 100805.5536 kcal/mol (100635.6481 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 201. Total energy = 99539.0144 kcal/mol (99372.3942 without restraints) Performing minimization step: 202. Total energy = 98299.9261 kcal/mol (98136.5011 without restraints) Performing minimization step: 203. Total energy = 97087.5388 kcal/mol (96927.2221 without restraints) Performing minimization step: 204. Total energy = 95901.1272 kcal/mol (95743.8344 without restraints) Performing minimization step: 205. Total energy = 94739.9882 kcal/mol (94585.6379 without restraints) Performing minimization step: 206. Total energy = 93603.4428 kcal/mol (93451.9560 without restraints) Performing minimization step: 207. Total energy = 92490.8332 kcal/mol (92342.1336 without restraints) Performing minimization step: 208. Total energy = 91401.5228 kcal/mol (91255.5363 without restraints) Performing minimization step: 209. Total energy = 90334.8942 kcal/mol (90191.5492 without restraints) Performing minimization step: 210. Total energy = 89290.3507 kcal/mol (89149.5780 without restraints) Performing minimization step: 211. Total energy = 88267.3129 kcal/mol (88129.0449 without restraints) Performing minimization step: 212. Total energy = 87265.2202 kcal/mol (87129.3919 without restraints) Performing minimization step: 213. Total energy = 86283.5295 kcal/mol (86150.0778 without restraints) Performing minimization step: 214. Total energy = 85321.7136 kcal/mol (85190.5773 without restraints) Performing minimization step: 215. Total energy = 84379.2622 kcal/mol (84250.3819 without restraints) Performing minimization step: 216. Total energy = 83455.6804 kcal/mol (83328.9985 without restraints) Performing minimization step: 217. Total energy = 82550.4876 kcal/mol (82425.9484 without restraints) Performing minimization step: 218. Total energy = 81663.2185 kcal/mol (81540.7678 without restraints) Performing minimization step: 219. Total energy = 80793.4212 kcal/mol (80673.0065 without restraints) Performing minimization step: 220. Total energy = 79940.6575 kcal/mol (79822.2279 without restraints) Performing minimization step: 221. Total energy = 79104.5023 kcal/mol (78988.0082 without restraints) Performing minimization step: 222. Total energy = 78284.5427 kcal/mol (78169.9363 without restraints) Performing minimization step: 223. Total energy = 77480.3783 kcal/mol (77367.6129 without restraints) Performing minimization step: 224. Total energy = 76691.6201 kcal/mol (76580.6505 without restraints) Performing minimization step: 225. Total energy = 75917.8905 kcal/mol (75808.6728 without restraints) Performing minimization step: 226. Total energy = 75158.8229 kcal/mol (75051.3144 without restraints) Performing minimization step: 227. Total energy = 74414.0615 kcal/mol (74308.2208 without restraints) Performing minimization step: 228. Total energy = 73683.2604 kcal/mol (73579.0473 without restraints) Performing minimization step: 229. Total energy = 72966.0835 kcal/mol (72863.4589 without restraints) Performing minimization step: 230. Total energy = 72262.2046 kcal/mol (72161.1305 without restraints) Performing minimization step: 231. Total energy = 71571.3065 kcal/mol (71471.7461 without restraints) Performing minimization step: 232. Total energy = 70893.0810 kcal/mol (70794.9984 without restraints) Performing minimization step: 233. Total energy = 70227.2287 kcal/mol (70130.5890 without restraints) Performing minimization step: 234. Total energy = 69573.4584 kcal/mol (69478.2275 without restraints) Performing minimization step: 235. Total energy = 68931.4868 kcal/mol (68837.6322 without restraints) Performing minimization step: 236. Total energy = 68301.0394 kcal/mol (68208.5288 without restraints) Performing minimization step: 237. Total energy = 67681.8482 kcal/mol (67590.6506 without restraints) Performing minimization step: 238. Total energy = 67073.6529 kcal/mol (66983.7379 without restraints) Performing minimization step: 239. Total energy = 66476.2006 kcal/mol (66387.5388 without restraints) Performing minimization step: 240. Total energy = 65889.2452 kcal/mol (65801.8079 without restraints) Performing minimization step: 241. Total energy = 65312.5475 kcal/mol (65226.3068 without restraints) Performing minimization step: 242. Total energy = 64745.8743 kcal/mol (64660.8031 without restraints) Performing minimization step: 243. Total energy = 64188.9987 kcal/mol (64105.0708 without restraints) Performing minimization step: 244. Total energy = 63641.7005 kcal/mol (63558.8900 without restraints) Performing minimization step: 245. Total energy = 63103.7650 kcal/mol (63022.0470 without restraints) Performing minimization step: 246. Total energy = 62574.9834 kcal/mol (62494.3336 without restraints) Performing minimization step: 247. Total energy = 62055.1522 kcal/mol (61975.5468 without restraints) Performing minimization step: 248. Total energy = 61544.0735 kcal/mol (61465.4895 without restraints) Performing minimization step: 249. Total energy = 61041.5547 kcal/mol (60963.9696 without restraints) Performing minimization step: 250. Total energy = 60547.4079 kcal/mol (60470.7999 without restraints) Performing minimization step: 251. Total energy = 60061.4508 kcal/mol (59985.7986 without restraints) Performing minimization step: 252. Total energy = 59583.5049 kcal/mol (59508.7879 without restraints) Performing minimization step: 253. Total energy = 59113.3974 kcal/mol (59039.5953 without restraints) Performing minimization step: 254. Total energy = 58650.9594 kcal/mol (58578.0525 without restraints) Performing minimization step: 255. Total energy = 58196.0260 kcal/mol (58123.9951 without restraints) Performing minimization step: 256. Total energy = 57748.4376 kcal/mol (57677.2642 without restraints) Performing minimization step: 257. Total energy = 57308.0372 kcal/mol (57237.7030 without restraints) Performing minimization step: 258. Total energy = 56874.6735 kcal/mol (56805.1607 without restraints) Performing minimization step: 259. Total energy = 56448.1980 kcal/mol (56379.4895 without restraints) Performing minimization step: 260. Total energy = 56028.4662 kcal/mol (55960.5451 without restraints) Performing minimization step: 261. Total energy = 55615.3374 kcal/mol (55548.1872 without restraints) Performing minimization step: 262. Total energy = 55208.6742 kcal/mol (55142.2791 without restraints) Performing minimization step: 263. Total energy = 54808.3429 kcal/mol (54742.6872 without restraints) Performing minimization step: 264. Total energy = 54414.2129 kcal/mol (54349.2813 without restraints) Performing minimization step: 265. Total energy = 54026.1570 kcal/mol (53961.9348 without restraints) Performing minimization step: 266. Total energy = 53644.0511 kcal/mol (53580.5238 without restraints) Performing minimization step: 267. Total energy = 53267.7741 kcal/mol (53204.9276 without restraints) Performing minimization step: 268. Total energy = 52897.2083 kcal/mol (52835.0288 without restraints) Performing minimization step: 269. Total energy = 52532.2384 kcal/mol (52470.7125 without restraints) Performing minimization step: 270. Total energy = 52172.7519 kcal/mol (52111.8667 without restraints) Performing minimization step: 271. Total energy = 51818.6397 kcal/mol (51758.3821 without restraints) Performing minimization step: 272. Total energy = 51469.7945 kcal/mol (51410.1523 without restraints) Performing minimization step: 273. Total energy = 51126.1119 kcal/mol (51067.0728 without restraints) Performing minimization step: 274. Total energy = 50787.4905 kcal/mol (50729.0427 without restraints) Performing minimization step: 275. Total energy = 50453.8308 kcal/mol (50395.9628 without restraints) Performing minimization step: 276. Total energy = 50125.0353 kcal/mol (50067.7355 without restraints) Performing minimization step: 277. Total energy = 49801.0097 kcal/mol (49744.2673 without restraints) Performing minimization step: 278. Total energy = 49481.6617 kcal/mol (49425.4658 without restraints) Performing minimization step: 279. Total energy = 49166.9012 kcal/mol (49111.2414 without restraints) Performing minimization step: 280. Total energy = 48856.6398 kcal/mol (48801.5057 without restraints) Performing minimization step: 281. Total energy = 48550.7913 kcal/mol (48496.1729 without restraints) Performing minimization step: 282. Total energy = 48249.2717 kcal/mol (48195.1592 without restraints) Performing minimization step: 283. Total energy = 47951.9990 kcal/mol (47898.3829 without restraints) Performing minimization step: 284. Total energy = 47658.8931 kcal/mol (47605.7641 without restraints) Performing minimization step: 285. Total energy = 47369.8753 kcal/mol (47317.2241 without restraints) Performing minimization step: 286. Total energy = 47084.8689 kcal/mol (47032.6867 without restraints) Performing minimization step: 287. Total energy = 46803.7998 kcal/mol (46752.0778 without restraints) Performing minimization step: 288. Total energy = 46526.5944 kcal/mol (46475.3240 without restraints) Performing minimization step: 289. Total energy = 46253.1813 kcal/mol (46202.3543 without restraints) Performing minimization step: 290. Total energy = 45983.4903 kcal/mol (45933.0986 without restraints) Performing minimization step: 291. Total energy = 45717.4539 kcal/mol (45667.4894 without restraints) Performing minimization step: 292. Total energy = 45455.0050 kcal/mol (45405.4600 without restraints) Performing minimization step: 293. Total energy = 45196.0784 kcal/mol (45146.9452 without restraints) Performing minimization step: 294. Total energy = 44940.6101 kcal/mol (44891.8814 without restraints) Performing minimization step: 295. Total energy = 44688.5380 kcal/mol (44640.2064 without restraints) Performing minimization step: 296. Total energy = 44439.8008 kcal/mol (44391.8593 without restraints) Performing minimization step: 297. Total energy = 44194.3391 kcal/mol (44146.7806 without restraints) Performing minimization step: 298. Total energy = 43952.0948 kcal/mol (43904.9127 without restraints) Performing minimization step: 299. Total energy = 43713.0099 kcal/mol (43666.1974 without restraints) Performing minimization step: 300. Total energy = 43477.0289 kcal/mol (43430.5794 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 301. Total energy = 43244.0972 kcal/mol (43198.0045 without restraints) Performing minimization step: 302. Total energy = 43014.1614 kcal/mol (42968.4192 without restraints) Performing minimization step: 303. Total energy = 42787.1693 kcal/mol (42741.7714 without restraints) Performing minimization step: 304. Total energy = 42563.0692 kcal/mol (42518.0097 without restraints) Performing minimization step: 305. Total energy = 42341.8112 kcal/mol (42297.0844 without restraints) Performing minimization step: 306. Total energy = 42123.3462 kcal/mol (42078.9461 without restraints) Performing minimization step: 307. Total energy = 41907.6261 kcal/mol (41863.5473 without restraints) Performing minimization step: 308. Total energy = 41694.6034 kcal/mol (41650.8404 without restraints) Performing minimization step: 309. Total energy = 41484.2331 kcal/mol (41440.7804 without restraints) Performing minimization step: 310. Total energy = 41276.4693 kcal/mol (41233.3218 without restraints) Performing minimization step: 311. Total energy = 41071.2681 kcal/mol (41028.4205 without restraints) Performing minimization step: 312. Total energy = 40868.5862 kcal/mol (40826.0336 without restraints) Performing minimization step: 313. Total energy = 40668.3811 kcal/mol (40626.1185 without restraints) Performing minimization step: 314. Total energy = 40470.6111 kcal/mol (40428.6336 without restraints) Performing minimization step: 315. Total energy = 40275.2356 kcal/mol (40233.5385 without restraints) Performing minimization step: 316. Total energy = 40082.2148 kcal/mol (40040.7935 without restraints) Performing minimization step: 317. Total energy = 39891.5098 kcal/mol (39850.3596 without restraints) Performing minimization step: 318. Total energy = 39703.0818 kcal/mol (39662.1984 without restraints) Performing minimization step: 319. Total energy = 39516.8940 kcal/mol (39476.2730 without restraints) Performing minimization step: 320. Total energy = 39332.9095 kcal/mol (39292.5465 without restraints) Performing minimization step: 321. Total energy = 39151.0917 kcal/mol (39110.9827 without restraints) Performing minimization step: 322. Total energy = 38971.4056 kcal/mol (38931.5464 without restraints) Performing minimization step: 323. Total energy = 38793.8164 kcal/mol (38754.2027 without restraints) Performing minimization step: 324. Total energy = 38618.2904 kcal/mol (38578.9186 without restraints) Performing minimization step: 325. Total energy = 38444.7947 kcal/mol (38405.6609 without restraints) Performing minimization step: 326. Total energy = 38273.2958 kcal/mol (38234.3960 without restraints) Performing minimization step: 327. Total energy = 38103.7621 kcal/mol (38065.0927 without restraints) Performing minimization step: 328. Total energy = 37936.1620 kcal/mol (37897.7194 without restraints) Performing minimization step: 329. Total energy = 37770.4646 kcal/mol (37732.2451 without restraints) Performing minimization step: 330. Total energy = 37606.6402 kcal/mol (37568.6403 without restraints) Performing minimization step: 331. Total energy = 37444.6591 kcal/mol (37406.8754 without restraints) Performing minimization step: 332. Total energy = 37284.4917 kcal/mol (37246.9207 without restraints) Performing minimization step: 333. Total energy = 37126.1098 kcal/mol (37088.7483 without restraints) Performing minimization step: 334. Total energy = 36969.4853 kcal/mol (36932.3300 without restraints) Performing minimization step: 335. Total energy = 36814.5908 kcal/mol (36777.6385 without restraints) Performing minimization step: 336. Total energy = 36661.3992 kcal/mol (36624.6467 without restraints) Performing minimization step: 337. Total energy = 36509.8845 kcal/mol (36473.3287 without restraints) Performing minimization step: 338. Total energy = 36360.0204 kcal/mol (36323.6585 without restraints) Performing minimization step: 339. Total energy = 36211.7814 kcal/mol (36175.6103 without restraints) Performing minimization step: 340. Total energy = 36065.1423 kcal/mol (36029.1590 without restraints) Performing minimization step: 341. Total energy = 35920.0788 kcal/mol (35884.2807 without restraints) Performing minimization step: 342. Total energy = 35776.5669 kcal/mol (35740.9511 without restraints) Performing minimization step: 343. Total energy = 35634.5827 kcal/mol (35599.1463 without restraints) Performing minimization step: 344. Total energy = 35494.1031 kcal/mol (35458.8435 without restraints) Performing minimization step: 345. Total energy = 35355.1052 kcal/mol (35320.0198 without restraints) Performing minimization step: 346. Total energy = 35217.5665 kcal/mol (35182.6526 without restraints) Performing minimization step: 347. Total energy = 35081.4656 kcal/mol (35046.7206 without restraints) Performing minimization step: 348. Total energy = 34946.7800 kcal/mol (34912.2015 without restraints) Performing minimization step: 349. Total energy = 34813.4887 kcal/mol (34779.0742 without restraints) Performing minimization step: 350. Total energy = 34681.5712 kcal/mol (34647.3183 without restraints) Performing minimization step: 351. Total energy = 34551.0068 kcal/mol (34516.9132 without restraints) Performing minimization step: 352. Total energy = 34421.7757 kcal/mol (34387.8389 without restraints) Performing minimization step: 353. Total energy = 34293.8576 kcal/mol (34260.0755 without restraints) Performing minimization step: 354. Total energy = 34167.2334 kcal/mol (34133.6035 without restraints) Performing minimization step: 355. Total energy = 34041.8836 kcal/mol (34008.4038 without restraints) Performing minimization step: 356. Total energy = 33917.7900 kcal/mol (33884.4582 without restraints) Performing minimization step: 357. Total energy = 33794.9345 kcal/mol (33761.7484 without restraints) Performing minimization step: 358. Total energy = 33673.2980 kcal/mol (33640.2557 without restraints) Performing minimization step: 359. Total energy = 33552.8629 kcal/mol (33519.9622 without restraints) Performing minimization step: 360. Total energy = 33433.6122 kcal/mol (33400.8512 without restraints) Performing minimization step: 361. Total energy = 33315.5286 kcal/mol (33282.9052 without restraints) Performing minimization step: 362. Total energy = 33198.5949 kcal/mol (33166.1069 without restraints) Performing minimization step: 363. Total energy = 33082.7946 kcal/mol (33050.4406 without restraints) Performing minimization step: 364. Total energy = 32968.1115 kcal/mol (32935.8894 without restraints) Performing minimization step: 365. Total energy = 32854.5299 kcal/mol (32822.4377 without restraints) Performing minimization step: 366. Total energy = 32742.0339 kcal/mol (32710.0699 without restraints) Performing minimization step: 367. Total energy = 32630.6078 kcal/mol (32598.7702 without restraints) Performing minimization step: 368. Total energy = 32520.2360 kcal/mol (32488.5231 without restraints) Performing minimization step: 369. Total energy = 32410.9040 kcal/mol (32379.3140 without restraints) Performing minimization step: 370. Total energy = 32302.5969 kcal/mol (32271.1280 without restraints) Performing minimization step: 371. Total energy = 32195.3001 kcal/mol (32163.9508 without restraints) Performing minimization step: 372. Total energy = 32088.9997 kcal/mol (32057.7682 without restraints) Performing minimization step: 373. Total energy = 31983.6813 kcal/mol (31952.5660 without restraints) Performing minimization step: 374. Total energy = 31879.3310 kcal/mol (31848.3304 without restraints) Performing minimization step: 375. Total energy = 31775.9357 kcal/mol (31745.0483 without restraints) Performing minimization step: 376. Total energy = 31673.4820 kcal/mol (31642.7061 without restraints) Performing minimization step: 377. Total energy = 31571.9570 kcal/mol (31541.2913 without restraints) Performing minimization step: 378. Total energy = 31471.3475 kcal/mol (31440.7903 without restraints) Performing minimization step: 379. Total energy = 31371.6408 kcal/mol (31341.1908 without restraints) Performing minimization step: 380. Total energy = 31272.8250 kcal/mol (31242.4806 without restraints) Performing minimization step: 381. Total energy = 31174.8871 kcal/mol (31144.6469 without restraints) Performing minimization step: 382. Total energy = 31077.8148 kcal/mol (31047.6775 without restraints) Performing minimization step: 383. Total energy = 30981.5967 kcal/mol (30951.5609 without restraints) Performing minimization step: 384. Total energy = 30886.2212 kcal/mol (30856.2855 without restraints) Performing minimization step: 385. Total energy = 30791.6768 kcal/mol (30761.8400 without restraints) Performing minimization step: 386. Total energy = 30697.9521 kcal/mol (30668.2128 without restraints) Performing minimization step: 387. Total energy = 30605.0358 kcal/mol (30575.3927 without restraints) Performing minimization step: 388. Total energy = 30512.9170 kcal/mol (30483.3689 without restraints) Performing minimization step: 389. Total energy = 30421.5850 kcal/mol (30392.1307 without restraints) Performing minimization step: 390. Total energy = 30331.0291 kcal/mol (30301.6673 without restraints) Performing minimization step: 391. Total energy = 30241.2392 kcal/mol (30211.9688 without restraints) Performing minimization step: 392. Total energy = 30152.2047 kcal/mol (30123.0245 without restraints) Performing minimization step: 393. Total energy = 30063.9154 kcal/mol (30034.8241 without restraints) Performing minimization step: 394. Total energy = 29976.3616 kcal/mol (29947.3583 without restraints) Performing minimization step: 395. Total energy = 29889.5337 kcal/mol (29860.6171 without restraints) Performing minimization step: 396. Total energy = 29803.4218 kcal/mol (29774.5911 without restraints) Performing minimization step: 397. Total energy = 29718.0165 kcal/mol (29689.2702 without restraints) Performing minimization step: 398. Total energy = 29633.3085 kcal/mol (29604.6457 without restraints) Performing minimization step: 399. Total energy = 29549.2885 kcal/mol (29520.7081 without restraints) Performing minimization step: 400. Total energy = 29465.9473 kcal/mol (29437.4485 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 401. Total energy = 29383.2764 kcal/mol (29354.8579 without restraints) Performing minimization step: 402. Total energy = 29301.2667 kcal/mol (29272.9275 without restraints) Performing minimization step: 403. Total energy = 29219.9091 kcal/mol (29191.6484 without restraints) Performing minimization step: 404. Total energy = 29139.1963 kcal/mol (29111.0131 without restraints) Performing minimization step: 405. Total energy = 29059.1190 kcal/mol (29031.0122 without restraints) Performing minimization step: 406. Total energy = 28979.6694 kcal/mol (28951.6382 without restraints) Performing minimization step: 407. Total energy = 28900.8392 kcal/mol (28872.8826 without restraints) Performing minimization step: 408. Total energy = 28822.6204 kcal/mol (28794.7375 without restraints) Performing minimization step: 409. Total energy = 28745.0051 kcal/mol (28717.1951 without restraints) Performing minimization step: 410. Total energy = 28667.9857 kcal/mol (28640.2476 without restraints) Performing minimization step: 411. Total energy = 28591.5545 kcal/mol (28563.8874 without restraints) Performing minimization step: 412. Total energy = 28515.7039 kcal/mol (28488.1071 without restraints) Performing minimization step: 413. Total energy = 28440.4268 kcal/mol (28412.8994 without restraints) Performing minimization step: 414. Total energy = 28365.7162 kcal/mol (28338.2572 without restraints) Performing minimization step: 415. Total energy = 28291.5638 kcal/mol (28264.1726 without restraints) Performing minimization step: 416. Total energy = 28217.9633 kcal/mol (28190.6391 without restraints) Performing minimization step: 417. Total energy = 28144.9077 kcal/mol (28117.6497 without restraints) Performing minimization step: 418. Total energy = 28072.3903 kcal/mol (28045.1977 without restraints) Performing minimization step: 419. Total energy = 28000.4039 kcal/mol (27973.2759 without restraints) Performing minimization step: 420. Total energy = 27928.9418 kcal/mol (27901.8777 without restraints) Performing minimization step: 421. Total energy = 27857.9980 kcal/mol (27830.9970 without restraints) Performing minimization step: 422. Total energy = 27787.5657 kcal/mol (27760.6271 without restraints) Performing minimization step: 423. Total energy = 27717.6389 kcal/mol (27690.7620 without restraints) Performing minimization step: 424. Total energy = 27648.2109 kcal/mol (27621.3949 without restraints) Performing minimization step: 425. Total energy = 27579.2753 kcal/mol (27552.5196 without restraints) Performing minimization step: 426. Total energy = 27510.8268 kcal/mol (27484.1309 without restraints) Performing minimization step: 427. Total energy = 27442.8587 kcal/mol (27416.2216 without restraints) Performing minimization step: 428. Total energy = 27375.3657 kcal/mol (27348.7869 without restraints) Performing minimization step: 429. Total energy = 27308.3422 kcal/mol (27281.8210 without restraints) Performing minimization step: 430. Total energy = 27241.7816 kcal/mol (27215.3173 without restraints) Performing minimization step: 431. Total energy = 27175.6782 kcal/mol (27149.2703 without restraints) Performing minimization step: 432. Total energy = 27110.0273 kcal/mol (27083.6751 without restraints) Performing minimization step: 433. Total energy = 27044.8233 kcal/mol (27018.5262 without restraints) Performing minimization step: 434. Total energy = 26980.0603 kcal/mol (26953.8178 without restraints) Performing minimization step: 435. Total energy = 26915.7333 kcal/mol (26889.5446 without restraints) Performing minimization step: 436. Total energy = 26851.8365 kcal/mol (26825.7011 without restraints) Performing minimization step: 437. Total energy = 26788.3658 kcal/mol (26762.2832 without restraints) Performing minimization step: 438. Total energy = 26725.3155 kcal/mol (26699.2851 without restraints) Performing minimization step: 439. Total energy = 26662.6808 kcal/mol (26636.7019 without restraints) Performing minimization step: 440. Total energy = 26600.4560 kcal/mol (26574.5282 without restraints) Performing minimization step: 441. Total energy = 26538.6370 kcal/mol (26512.7597 without restraints) Performing minimization step: 442. Total energy = 26477.2192 kcal/mol (26451.3920 without restraints) Performing minimization step: 443. Total energy = 26416.1972 kcal/mol (26390.4194 without restraints) Performing minimization step: 444. Total energy = 26355.5665 kcal/mol (26329.8376 without restraints) Performing minimization step: 445. Total energy = 26295.3225 kcal/mol (26269.6421 without restraints) Performing minimization step: 446. Total energy = 26235.4614 kcal/mol (26209.8287 without restraints) Performing minimization step: 447. Total energy = 26175.9775 kcal/mol (26150.3924 without restraints) Performing minimization step: 448. Total energy = 26116.8677 kcal/mol (26091.3295 without restraints) Performing minimization step: 449. Total energy = 26058.1264 kcal/mol (26032.6347 without restraints) Performing minimization step: 450. Total energy = 25999.7496 kcal/mol (25974.3039 without restraints) Performing minimization step: 451. Total energy = 25941.7338 kcal/mol (25916.3336 without restraints) Performing minimization step: 452. Total energy = 25884.0742 kcal/mol (25858.7190 without restraints) Performing minimization step: 453. Total energy = 25826.7671 kcal/mol (25801.4566 without restraints) Performing minimization step: 454. Total energy = 25769.8085 kcal/mol (25744.5422 without restraints) Performing minimization step: 455. Total energy = 25713.1940 kcal/mol (25687.9714 without restraints) Performing minimization step: 456. Total energy = 25656.9202 kcal/mol (25631.7409 without restraints) Performing minimization step: 457. Total energy = 25600.9823 kcal/mol (25575.8457 without restraints) Performing minimization step: 458. Total energy = 25545.3776 kcal/mol (25520.2837 without restraints) Performing minimization step: 459. Total energy = 25490.1019 kcal/mol (25465.0498 without restraints) Performing minimization step: 460. Total energy = 25435.1506 kcal/mol (25410.1403 without restraints) Performing minimization step: 461. Total energy = 25380.5223 kcal/mol (25355.5533 without restraints) Performing minimization step: 462. Total energy = 25326.2113 kcal/mol (25301.2831 without restraints) Performing minimization step: 463. Total energy = 25272.2146 kcal/mol (25247.3268 without restraints) Performing minimization step: 464. Total energy = 25218.5290 kcal/mol (25193.6813 without restraints) Performing minimization step: 465. Total energy = 25165.1502 kcal/mol (25140.3422 without restraints) Performing minimization step: 466. Total energy = 25112.0763 kcal/mol (25087.3077 without restraints) Performing minimization step: 467. Total energy = 25059.3034 kcal/mol (25034.5737 without restraints) Performing minimization step: 468. Total energy = 25006.8274 kcal/mol (24982.1362 without restraints) Performing minimization step: 469. Total energy = 24954.6455 kcal/mol (24929.9926 without restraints) Performing minimization step: 470. Total energy = 24902.7546 kcal/mol (24878.1396 without restraints) Performing minimization step: 471. Total energy = 24851.1516 kcal/mol (24826.5742 without restraints) Performing minimization step: 472. Total energy = 24799.8329 kcal/mol (24775.2927 without restraints) Performing minimization step: 473. Total energy = 24748.7958 kcal/mol (24724.2925 without restraints) Performing minimization step: 474. Total energy = 24698.0376 kcal/mol (24673.5710 without restraints) Performing minimization step: 475. Total energy = 24647.5550 kcal/mol (24623.1244 without restraints) Performing minimization step: 476. Total energy = 24597.3445 kcal/mol (24572.9499 without restraints) Performing minimization step: 477. Total energy = 24547.4034 kcal/mol (24523.0443 without restraints) Performing minimization step: 478. Total energy = 24497.7290 kcal/mol (24473.4052 without restraints) Performing minimization step: 479. Total energy = 24448.3184 kcal/mol (24424.0295 without restraints) Performing minimization step: 480. Total energy = 24399.1689 kcal/mol (24374.9147 without restraints) Performing minimization step: 481. Total energy = 24350.2776 kcal/mol (24326.0578 without restraints) Performing minimization step: 482. Total energy = 24301.6416 kcal/mol (24277.4559 without restraints) Performing minimization step: 483. Total energy = 24253.2587 kcal/mol (24229.1067 without restraints) Performing minimization step: 484. Total energy = 24205.1261 kcal/mol (24181.0077 without restraints) Performing minimization step: 485. Total energy = 24157.2410 kcal/mol (24133.1557 without restraints) Performing minimization step: 486. Total energy = 24109.6004 kcal/mol (24085.5480 without restraints) Performing minimization step: 487. Total energy = 24062.2024 kcal/mol (24038.1828 without restraints) Performing minimization step: 488. Total energy = 24015.0441 kcal/mol (23991.0569 without restraints) Performing minimization step: 489. Total energy = 23968.1239 kcal/mol (23944.1688 without restraints) Performing minimization step: 490. Total energy = 23921.4382 kcal/mol (23897.5150 without restraints) Performing minimization step: 491. Total energy = 23874.9853 kcal/mol (23851.0937 without restraints) Performing minimization step: 492. Total energy = 23828.7626 kcal/mol (23804.9024 without restraints) Performing minimization step: 493. Total energy = 23782.7677 kcal/mol (23758.9386 without restraints) Performing minimization step: 494. Total energy = 23736.9989 kcal/mol (23713.2007 without restraints) Performing minimization step: 495. Total energy = 23691.4527 kcal/mol (23667.6851 without restraints) Performing minimization step: 496. Total energy = 23646.1275 kcal/mol (23622.3904 without restraints) Performing minimization step: 497. Total energy = 23601.0212 kcal/mol (23577.3142 without restraints) Performing minimization step: 498. Total energy = 23556.1316 kcal/mol (23532.4545 without restraints) Performing minimization step: 499. Total energy = 23511.4557 kcal/mol (23487.8083 without restraints) Performing minimization step: 500. Total energy = 23466.9924 kcal/mol (23443.3745 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 501. Total energy = 23422.7393 kcal/mol (23399.1506 without restraints) Performing minimization step: 502. Total energy = 23378.6942 kcal/mol (23355.1346 without restraints) Performing minimization step: 503. Total energy = 23334.8551 kcal/mol (23311.3243 without restraints) Performing minimization step: 504. Total energy = 23291.2199 kcal/mol (23267.7178 without restraints) Performing minimization step: 505. Total energy = 23247.7867 kcal/mol (23224.3130 without restraints) Performing minimization step: 506. Total energy = 23204.5536 kcal/mol (23181.1081 without restraints) Performing minimization step: 507. Total energy = 23161.5182 kcal/mol (23138.1006 without restraints) Performing minimization step: 508. Total energy = 23118.6791 kcal/mol (23095.2893 without restraints) Performing minimization step: 509. Total energy = 23076.0342 kcal/mol (23052.6720 without restraints) Performing minimization step: 510. Total energy = 23033.5822 kcal/mol (23010.2474 without restraints) Performing minimization step: 511. Total energy = 22991.3201 kcal/mol (22968.0125 without restraints) Performing minimization step: 512. Total energy = 22949.2467 kcal/mol (22925.9660 without restraints) Performing minimization step: 513. Total energy = 22907.3603 kcal/mol (22884.1065 without restraints) Performing minimization step: 514. Total energy = 22865.6585 kcal/mol (22842.4312 without restraints) Performing minimization step: 515. Total energy = 22824.1402 kcal/mol (22800.9395 without restraints) Performing minimization step: 516. Total energy = 22782.8036 kcal/mol (22759.6291 without restraints) Performing minimization step: 517. Total energy = 22741.6470 kcal/mol (22718.4987 without restraints) Performing minimization step: 518. Total energy = 22700.6686 kcal/mol (22677.5462 without restraints) Performing minimization step: 519. Total energy = 22659.8666 kcal/mol (22636.7700 without restraints) Performing minimization step: 520. Total energy = 22619.2399 kcal/mol (22596.1689 without restraints) Performing minimization step: 521. Total energy = 22578.7861 kcal/mol (22555.7405 without restraints) Performing minimization step: 522. Total energy = 22538.5039 kcal/mol (22515.4835 without restraints) Performing minimization step: 523. Total energy = 22498.3920 kcal/mol (22475.3967 without restraints) Performing minimization step: 524. Total energy = 22458.4481 kcal/mol (22435.4777 without restraints) Performing minimization step: 525. Total energy = 22418.6711 kcal/mol (22395.7256 without restraints) Performing minimization step: 526. Total energy = 22379.0597 kcal/mol (22356.1388 without restraints) Performing minimization step: 527. Total energy = 22339.6124 kcal/mol (22316.7160 without restraints) Performing minimization step: 528. Total energy = 22300.3277 kcal/mol (22277.4556 without restraints) Performing minimization step: 529. Total energy = 22261.2040 kcal/mol (22238.3561 without restraints) Performing minimization step: 530. Total energy = 22222.2398 kcal/mol (22199.4159 without restraints) Performing minimization step: 531. Total energy = 22183.4333 kcal/mol (22160.6332 without restraints) Performing minimization step: 532. Total energy = 22144.7837 kcal/mol (22122.0073 without restraints) Performing minimization step: 533. Total energy = 22106.2895 kcal/mol (22083.5367 without restraints) Performing minimization step: 534. Total energy = 22067.9494 kcal/mol (22045.2202 without restraints) Performing minimization step: 535. Total energy = 22029.7627 kcal/mol (22007.0567 without restraints) Performing minimization step: 536. Total energy = 21991.7265 kcal/mol (21969.0437 without restraints) Performing minimization step: 537. Total energy = 21953.8400 kcal/mol (21931.1803 without restraints) Performing minimization step: 538. Total energy = 21916.1028 kcal/mol (21893.4662 without restraints) Performing minimization step: 539. Total energy = 21878.5127 kcal/mol (21855.8987 without restraints) Performing minimization step: 540. Total energy = 21841.0685 kcal/mol (21818.4771 without restraints) Performing minimization step: 541. Total energy = 21803.7690 kcal/mol (21781.2001 without restraints) Performing minimization step: 542. Total energy = 21766.6136 kcal/mol (21744.0674 without restraints) Performing minimization step: 543. Total energy = 21729.6002 kcal/mol (21707.0760 without restraints) Performing minimization step: 544. Total energy = 21692.7276 kcal/mol (21670.2256 without restraints) Performing minimization step: 545. Total energy = 21655.9952 kcal/mol (21633.5153 without restraints) Performing minimization step: 546. Total energy = 21619.4017 kcal/mol (21596.9438 without restraints) Performing minimization step: 547. Total energy = 21582.9458 kcal/mol (21560.5097 without restraints) Performing minimization step: 548. Total energy = 21546.6266 kcal/mol (21524.2122 without restraints) Performing minimization step: 549. Total energy = 21510.4422 kcal/mol (21488.0494 without restraints) Performing minimization step: 550. Total energy = 21474.3920 kcal/mol (21452.0207 without restraints) Performing minimization step: 551. Total energy = 21438.4754 kcal/mol (21416.1254 without restraints) Performing minimization step: 552. Total energy = 21402.6903 kcal/mol (21380.3615 without restraints) Performing minimization step: 553. Total energy = 21367.0365 kcal/mol (21344.7289 without restraints) Performing minimization step: 554. Total energy = 21331.5126 kcal/mol (21309.2261 without restraints) Performing minimization step: 555. Total energy = 21296.1172 kcal/mol (21273.8516 without restraints) Performing minimization step: 556. Total energy = 21260.8494 kcal/mol (21238.6047 without restraints) Performing minimization step: 557. Total energy = 21225.7086 kcal/mol (21203.4845 without restraints) Performing minimization step: 558. Total energy = 21190.6932 kcal/mol (21168.4898 without restraints) Performing minimization step: 559. Total energy = 21155.8028 kcal/mol (21133.6199 without restraints) Performing minimization step: 560. Total energy = 21121.0362 kcal/mol (21098.8739 without restraints) Performing minimization step: 561. Total energy = 21086.3924 kcal/mol (21064.2503 without restraints) Performing minimization step: 562. Total energy = 21051.8697 kcal/mol (21029.7479 without restraints) Performing minimization step: 563. Total energy = 21017.4685 kcal/mol (20995.3669 without restraints) Performing minimization step: 564. Total energy = 20983.1871 kcal/mol (20961.1055 without restraints) Performing minimization step: 565. Total energy = 20949.0248 kcal/mol (20926.9634 without restraints) Performing minimization step: 566. Total energy = 20914.9805 kcal/mol (20892.9389 without restraints) Performing minimization step: 567. Total energy = 20881.0533 kcal/mol (20859.0314 without restraints) Performing minimization step: 568. Total energy = 20847.2420 kcal/mol (20825.2399 without restraints) Performing minimization step: 569. Total energy = 20813.5461 kcal/mol (20791.5637 without restraints) Performing minimization step: 570. Total energy = 20779.9645 kcal/mol (20758.0015 without restraints) Performing minimization step: 571. Total energy = 20746.4964 kcal/mol (20724.5528 without restraints) Performing minimization step: 572. Total energy = 20713.1408 kcal/mol (20691.2166 without restraints) Performing minimization step: 573. Total energy = 20679.8976 kcal/mol (20657.9927 without restraints) Performing minimization step: 574. Total energy = 20646.7653 kcal/mol (20624.8797 without restraints) Performing minimization step: 575. Total energy = 20613.7434 kcal/mol (20591.8769 without restraints) Performing minimization step: 576. Total energy = 20580.8303 kcal/mol (20558.9828 without restraints) Performing minimization step: 577. Total energy = 20548.0266 kcal/mol (20526.1981 without restraints) Performing minimization step: 578. Total energy = 20515.3302 kcal/mol (20493.5208 without restraints) Performing minimization step: 579. Total energy = 20482.7411 kcal/mol (20460.9503 without restraints) Performing minimization step: 580. Total energy = 20450.2578 kcal/mol (20428.4858 without restraints) Performing minimization step: 581. Total energy = 20417.8799 kcal/mol (20396.1266 without restraints) Performing minimization step: 582. Total energy = 20385.6068 kcal/mol (20363.8721 without restraints) Performing minimization step: 583. Total energy = 20353.4375 kcal/mol (20331.7212 without restraints) Performing minimization step: 584. Total energy = 20321.3714 kcal/mol (20299.6738 without restraints) Performing minimization step: 585. Total energy = 20289.4078 kcal/mol (20267.7284 without restraints) Performing minimization step: 586. Total energy = 20257.5456 kcal/mol (20235.8846 without restraints) Performing minimization step: 587. Total energy = 20225.7847 kcal/mol (20204.1419 without restraints) Performing minimization step: 588. Total energy = 20194.1245 kcal/mol (20172.4998 without restraints) Performing minimization step: 589. Total energy = 20162.5638 kcal/mol (20140.9574 without restraints) Performing minimization step: 590. Total energy = 20131.1017 kcal/mol (20109.5133 without restraints) Performing minimization step: 591. Total energy = 20099.7378 kcal/mol (20078.1673 without restraints) Performing minimization step: 592. Total energy = 20068.4714 kcal/mol (20046.9189 without restraints) Performing minimization step: 593. Total energy = 20037.3017 kcal/mol (20015.7669 without restraints) Performing minimization step: 594. Total energy = 20006.2282 kcal/mol (19984.7111 without restraints) Performing minimization step: 595. Total energy = 19975.2497 kcal/mol (19953.7505 without restraints) Performing minimization step: 596. Total energy = 19944.3672 kcal/mol (19922.8858 without restraints) Performing minimization step: 597. Total energy = 19913.5787 kcal/mol (19892.1147 without restraints) Performing minimization step: 598. Total energy = 19882.8837 kcal/mol (19861.4373 without restraints) Performing minimization step: 599. Total energy = 19852.2816 kcal/mol (19830.8528 without restraints) Performing minimization step: 600. Total energy = 19821.7721 kcal/mol (19800.3606 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 601. Total energy = 19791.3539 kcal/mol (19769.9599 without restraints) Performing minimization step: 602. Total energy = 19761.0269 kcal/mol (19739.6501 without restraints) Performing minimization step: 603. Total energy = 19730.7909 kcal/mol (19709.4313 without restraints) Performing minimization step: 604. Total energy = 19700.6445 kcal/mol (19679.3022 without restraints) Performing minimization step: 605. Total energy = 19670.5878 kcal/mol (19649.2627 without restraints) Performing minimization step: 606. Total energy = 19640.6202 kcal/mol (19619.3123 without restraints) Performing minimization step: 607. Total energy = 19610.7407 kcal/mol (19589.4497 without restraints) Performing minimization step: 608. Total energy = 19580.9488 kcal/mol (19559.6748 without restraints) Performing minimization step: 609. Total energy = 19551.2440 kcal/mol (19529.9869 without restraints) Performing minimization step: 610. Total energy = 19521.6253 kcal/mol (19500.3852 without restraints) Performing minimization step: 611. Total energy = 19492.0928 kcal/mol (19470.8694 without restraints) Performing minimization step: 612. Total energy = 19462.6461 kcal/mol (19441.4395 without restraints) Performing minimization step: 613. Total energy = 19433.2849 kcal/mol (19412.0951 without restraints) Performing minimization step: 614. Total energy = 19404.0075 kcal/mol (19382.8343 without restraints) Performing minimization step: 615. Total energy = 19374.8140 kcal/mol (19353.6575 without restraints) Performing minimization step: 616. Total energy = 19345.7042 kcal/mol (19324.5643 without restraints) Performing minimization step: 617. Total energy = 19316.6769 kcal/mol (19295.5533 without restraints) Performing minimization step: 618. Total energy = 19287.7319 kcal/mol (19266.6251 without restraints) Performing minimization step: 619. Total energy = 19258.8688 kcal/mol (19237.7784 without restraints) Performing minimization step: 620. Total energy = 19230.0874 kcal/mol (19209.0133 without restraints) Performing minimization step: 621. Total energy = 19201.3867 kcal/mol (19180.3291 without restraints) Performing minimization step: 622. Total energy = 19172.7667 kcal/mol (19151.7254 without restraints) Performing minimization step: 623. Total energy = 19144.2264 kcal/mol (19123.2013 without restraints) Performing minimization step: 624. Total energy = 19115.7659 kcal/mol (19094.7570 without restraints) Performing minimization step: 625. Total energy = 19087.3838 kcal/mol (19066.3911 without restraints) Performing minimization step: 626. Total energy = 19059.0804 kcal/mol (19038.1038 without restraints) Performing minimization step: 627. Total energy = 19030.8543 kcal/mol (19009.8938 without restraints) Performing minimization step: 628. Total energy = 19002.7067 kcal/mol (18981.7624 without restraints) Performing minimization step: 629. Total energy = 18974.6364 kcal/mol (18953.7079 without restraints) Performing minimization step: 630. Total energy = 18946.6428 kcal/mol (18925.7304 without restraints) Performing minimization step: 631. Total energy = 18918.7252 kcal/mol (18897.8287 without restraints) Performing minimization step: 632. Total energy = 18890.8835 kcal/mol (18870.0029 without restraints) Performing minimization step: 633. Total energy = 18863.1172 kcal/mol (18842.2523 without restraints) Performing minimization step: 634. Total energy = 18835.4259 kcal/mol (18814.5769 without restraints) Performing minimization step: 635. Total energy = 18807.8093 kcal/mol (18786.9761 without restraints) Performing minimization step: 636. Total energy = 18780.2672 kcal/mol (18759.4497 without restraints) Performing minimization step: 637. Total energy = 18752.7985 kcal/mol (18731.9968 without restraints) Performing minimization step: 638. Total energy = 18725.4030 kcal/mol (18704.6168 without restraints) Performing minimization step: 639. Total energy = 18698.0805 kcal/mol (18677.3100 without restraints) Performing minimization step: 640. Total energy = 18670.8305 kcal/mol (18650.0754 without restraints) Performing minimization step: 641. Total energy = 18643.6525 kcal/mol (18622.9131 without restraints) Performing minimization step: 642. Total energy = 18616.5464 kcal/mol (18595.8225 without restraints) Performing minimization step: 643. Total energy = 18589.5113 kcal/mol (18568.8029 without restraints) Performing minimization step: 644. Total energy = 18562.5475 kcal/mol (18541.8545 without restraints) Performing minimization step: 645. Total energy = 18535.6544 kcal/mol (18514.9768 without restraints) Performing minimization step: 646. Total energy = 18508.8311 kcal/mol (18488.1689 without restraints) Performing minimization step: 647. Total energy = 18482.0778 kcal/mol (18461.4309 without restraints) Performing minimization step: 648. Total energy = 18455.3946 kcal/mol (18434.7630 without restraints) Performing minimization step: 649. Total energy = 18428.7807 kcal/mol (18408.1643 without restraints) Performing minimization step: 650. Total energy = 18402.2351 kcal/mol (18381.6341 without restraints) Performing minimization step: 651. Total energy = 18375.7581 kcal/mol (18355.1721 without restraints) Performing minimization step: 652. Total energy = 18349.3488 kcal/mol (18328.7780 without restraints) Performing minimization step: 653. Total energy = 18323.0074 kcal/mol (18302.4517 without restraints) Performing minimization step: 654. Total energy = 18296.7330 kcal/mol (18276.1924 without restraints) Performing minimization step: 655. Total energy = 18270.5258 kcal/mol (18250.0004 without restraints) Performing minimization step: 656. Total energy = 18244.3848 kcal/mol (18223.8743 without restraints) Performing minimization step: 657. Total energy = 18218.3111 kcal/mol (18197.8157 without restraints) Performing minimization step: 658. Total energy = 18192.3029 kcal/mol (18171.8224 without restraints) Performing minimization step: 659. Total energy = 18166.3604 kcal/mol (18145.8949 without restraints) Performing minimization step: 660. Total energy = 18140.4832 kcal/mol (18120.0325 without restraints) Performing minimization step: 661. Total energy = 18114.6709 kcal/mol (18094.2351 without restraints) Performing minimization step: 662. Total energy = 18088.9233 kcal/mol (18068.5024 without restraints) Performing minimization step: 663. Total energy = 18063.2400 kcal/mol (18042.8337 without restraints) Performing minimization step: 664. Total energy = 18037.6207 kcal/mol (18017.2292 without restraints) Performing minimization step: 665. Total energy = 18012.0650 kcal/mol (17991.6884 without restraints) Performing minimization step: 666. Total energy = 17986.5730 kcal/mol (17966.2112 without restraints) Performing minimization step: 667. Total energy = 17961.1442 kcal/mol (17940.7971 without restraints) Performing minimization step: 668. Total energy = 17935.7782 kcal/mol (17915.4458 without restraints) Performing minimization step: 669. Total energy = 17910.4753 kcal/mol (17890.1575 without restraints) Performing minimization step: 670. Total energy = 17885.2340 kcal/mol (17864.9307 without restraints) Performing minimization step: 671. Total energy = 17860.0555 kcal/mol (17839.7668 without restraints) Performing minimization step: 672. Total energy = 17834.9382 kcal/mol (17814.6641 without restraints) Performing minimization step: 673. Total energy = 17809.8821 kcal/mol (17789.6226 without restraints) Performing minimization step: 674. Total energy = 17784.8873 kcal/mol (17764.6423 without restraints) Performing minimization step: 675. Total energy = 17759.9538 kcal/mol (17739.7234 without restraints) Performing minimization step: 676. Total energy = 17735.0798 kcal/mol (17714.8637 without restraints) Performing minimization step: 677. Total energy = 17710.2667 kcal/mol (17690.0649 without restraints) Performing minimization step: 678. Total energy = 17685.5131 kcal/mol (17665.3258 without restraints) Performing minimization step: 679. Total energy = 17660.8193 kcal/mol (17640.6463 without restraints) Performing minimization step: 680. Total energy = 17636.1849 kcal/mol (17616.0263 without restraints) Performing minimization step: 681. Total energy = 17611.6101 kcal/mol (17591.4658 without restraints) Performing minimization step: 682. Total energy = 17587.0939 kcal/mol (17566.9639 without restraints) Performing minimization step: 683. Total energy = 17562.6362 kcal/mol (17542.5206 without restraints) Performing minimization step: 684. Total energy = 17538.2371 kcal/mol (17518.1356 without restraints) Performing minimization step: 685. Total energy = 17513.8962 kcal/mol (17493.8090 without restraints) Performing minimization step: 686. Total energy = 17489.6132 kcal/mol (17469.5402 without restraints) Performing minimization step: 687. Total energy = 17465.3879 kcal/mol (17445.3290 without restraints) Performing minimization step: 688. Total energy = 17441.2198 kcal/mol (17421.1750 without restraints) Performing minimization step: 689. Total energy = 17417.1083 kcal/mol (17397.0777 without restraints) Performing minimization step: 690. Total energy = 17393.0543 kcal/mol (17373.0378 without restraints) Performing minimization step: 691. Total energy = 17369.0568 kcal/mol (17349.0543 without restraints) Performing minimization step: 692. Total energy = 17345.1156 kcal/mol (17325.1272 without restraints) Performing minimization step: 693. Total energy = 17321.2305 kcal/mol (17301.2562 without restraints) Performing minimization step: 694. Total energy = 17297.4012 kcal/mol (17277.4408 without restraints) Performing minimization step: 695. Total energy = 17273.6276 kcal/mol (17253.6813 without restraints) Performing minimization step: 696. Total energy = 17249.9097 kcal/mol (17229.9772 without restraints) Performing minimization step: 697. Total energy = 17226.2470 kcal/mol (17206.3286 without restraints) Performing minimization step: 698. Total energy = 17202.6394 kcal/mol (17182.7348 without restraints) Performing minimization step: 699. Total energy = 17179.0862 kcal/mol (17159.1956 without restraints) Performing minimization step: 700. Total energy = 17155.5881 kcal/mol (17135.7113 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 701. Total energy = 17132.1444 kcal/mol (17112.2814 without restraints) Performing minimization step: 702. Total energy = 17108.7541 kcal/mol (17088.9050 without restraints) Performing minimization step: 703. Total energy = 17085.4177 kcal/mol (17065.5824 without restraints) Performing minimization step: 704. Total energy = 17062.1351 kcal/mol (17042.3136 without restraints) Performing minimization step: 705. Total energy = 17038.9062 kcal/mol (17019.0984 without restraints) Performing minimization step: 706. Total energy = 17015.7306 kcal/mol (16995.9365 without restraints) Performing minimization step: 707. Total energy = 16992.6079 kcal/mol (16972.8276 without restraints) Performing minimization step: 708. Total energy = 16969.5381 kcal/mol (16949.7715 without restraints) Performing minimization step: 709. Total energy = 16946.5205 kcal/mol (16926.7675 without restraints) Performing minimization step: 710. Total energy = 16923.5554 kcal/mol (16903.8161 without restraints) Performing minimization step: 711. Total energy = 16900.6424 kcal/mol (16880.9168 without restraints) Performing minimization step: 712. Total energy = 16877.7816 kcal/mol (16858.0696 without restraints) Performing minimization step: 713. Total energy = 16854.9726 kcal/mol (16835.2741 without restraints) Performing minimization step: 714. Total energy = 16832.2148 kcal/mol (16812.5300 without restraints) Performing minimization step: 715. Total energy = 16809.5087 kcal/mol (16789.8373 without restraints) Performing minimization step: 716. Total energy = 16786.8541 kcal/mol (16767.1963 without restraints) Performing minimization step: 717. Total energy = 16764.2507 kcal/mol (16744.6063 without restraints) Performing minimization step: 718. Total energy = 16741.6979 kcal/mol (16722.0671 without restraints) Performing minimization step: 719. Total energy = 16719.1952 kcal/mol (16699.5779 without restraints) Performing minimization step: 720. Total energy = 16696.7433 kcal/mol (16677.1394 without restraints) Performing minimization step: 721. Total energy = 16674.3415 kcal/mol (16654.7510 without restraints) Performing minimization step: 722. Total energy = 16651.9897 kcal/mol (16632.4126 without restraints) Performing minimization step: 723. Total energy = 16629.6880 kcal/mol (16610.1243 without restraints) Performing minimization step: 724. Total energy = 16607.4362 kcal/mol (16587.8859 without restraints) Performing minimization step: 725. Total energy = 16585.2339 kcal/mol (16565.6969 without restraints) Performing minimization step: 726. Total energy = 16563.0799 kcal/mol (16543.5562 without restraints) Performing minimization step: 727. Total energy = 16540.9755 kcal/mol (16521.4653 without restraints) Performing minimization step: 728. Total energy = 16518.9203 kcal/mol (16499.4233 without restraints) Performing minimization step: 729. Total energy = 16496.9139 kcal/mol (16477.4301 without restraints) Performing minimization step: 730. Total energy = 16474.9562 kcal/mol (16455.4857 without restraints) Performing minimization step: 731. Total energy = 16453.0467 kcal/mol (16433.5894 without restraints) Performing minimization step: 732. Total energy = 16431.1855 kcal/mol (16411.7414 without restraints) Performing minimization step: 733. Total energy = 16409.3722 kcal/mol (16389.9415 without restraints) Performing minimization step: 734. Total energy = 16387.6071 kcal/mol (16368.1894 without restraints) Performing minimization step: 735. Total energy = 16365.8903 kcal/mol (16346.4856 without restraints) Performing minimization step: 736. Total energy = 16344.2205 kcal/mol (16324.8292 without restraints) Performing minimization step: 737. Total energy = 16322.5982 kcal/mol (16303.2199 without restraints) Performing minimization step: 738. Total energy = 16301.0228 kcal/mol (16281.6576 without restraints) Performing minimization step: 739. Total energy = 16279.4947 kcal/mol (16260.1426 without restraints) Performing minimization step: 740. Total energy = 16258.0135 kcal/mol (16238.6745 without restraints) Performing minimization step: 741. Total energy = 16236.5793 kcal/mol (16217.2534 without restraints) Performing minimization step: 742. Total energy = 16215.1918 kcal/mol (16195.8790 without restraints) Performing minimization step: 743. Total energy = 16193.8511 kcal/mol (16174.5514 without restraints) Performing minimization step: 744. Total energy = 16172.5562 kcal/mol (16153.2694 without restraints) Performing minimization step: 745. Total energy = 16151.3072 kcal/mol (16132.0333 without restraints) Performing minimization step: 746. Total energy = 16130.1038 kcal/mol (16110.8429 without restraints) Performing minimization step: 747. Total energy = 16108.9467 kcal/mol (16089.6987 without restraints) Performing minimization step: 748. Total energy = 16087.8354 kcal/mol (16068.6004 without restraints) Performing minimization step: 749. Total energy = 16066.7700 kcal/mol (16047.5478 without restraints) Performing minimization step: 750. Total energy = 16045.7495 kcal/mol (16026.5402 without restraints) Performing minimization step: 751. Total energy = 16024.7744 kcal/mol (16005.5782 without restraints) Performing minimization step: 752. Total energy = 16003.8447 kcal/mol (15984.6612 without restraints) Performing minimization step: 753. Total energy = 15982.9596 kcal/mol (15963.7889 without restraints) Performing minimization step: 754. Total energy = 15962.1193 kcal/mol (15942.9613 without restraints) Performing minimization step: 755. Total energy = 15941.3233 kcal/mol (15922.1783 without restraints) Performing minimization step: 756. Total energy = 15920.5727 kcal/mol (15901.4405 without restraints) Performing minimization step: 757. Total energy = 15899.8660 kcal/mol (15880.7465 without restraints) Performing minimization step: 758. Total energy = 15879.2032 kcal/mol (15860.0965 without restraints) Performing minimization step: 759. Total energy = 15858.5847 kcal/mol (15839.4910 without restraints) Performing minimization step: 760. Total energy = 15838.0100 kcal/mol (15818.9287 without restraints) Performing minimization step: 761. Total energy = 15817.4791 kcal/mol (15798.4105 without restraints) Performing minimization step: 762. Total energy = 15796.9917 kcal/mol (15777.9358 without restraints) Performing minimization step: 763. Total energy = 15776.5478 kcal/mol (15757.5046 without restraints) Performing minimization step: 764. Total energy = 15756.1473 kcal/mol (15737.1168 without restraints) Performing minimization step: 765. Total energy = 15735.7901 kcal/mol (15716.7722 without restraints) Performing minimization step: 766. Total energy = 15715.4764 kcal/mol (15696.4712 without restraints) Performing minimization step: 767. Total energy = 15695.2054 kcal/mol (15676.2127 without restraints) Performing minimization step: 768. Total energy = 15674.9781 kcal/mol (15655.9981 without restraints) Performing minimization step: 769. Total energy = 15654.7924 kcal/mol (15635.8247 without restraints) Performing minimization step: 770. Total energy = 15634.6491 kcal/mol (15615.6941 without restraints) Performing minimization step: 771. Total energy = 15614.5481 kcal/mol (15595.6056 without restraints) Performing minimization step: 772. Total energy = 15594.4900 kcal/mol (15575.5601 without restraints) Performing minimization step: 773. Total energy = 15574.4738 kcal/mol (15555.5564 without restraints) Performing minimization step: 774. Total energy = 15554.4996 kcal/mol (15535.5947 without restraints) Performing minimization step: 775. Total energy = 15534.5675 kcal/mol (15515.6752 without restraints) Performing minimization step: 776. Total energy = 15514.6772 kcal/mol (15495.7973 without restraints) Performing minimization step: 777. Total energy = 15494.8288 kcal/mol (15475.9612 without restraints) Performing minimization step: 778. Total energy = 15475.0220 kcal/mol (15456.1669 without restraints) Performing minimization step: 779. Total energy = 15455.2566 kcal/mol (15436.4140 without restraints) Performing minimization step: 780. Total energy = 15435.5329 kcal/mol (15416.7026 without restraints) Performing minimization step: 781. Total energy = 15415.8500 kcal/mol (15397.0321 without restraints) Performing minimization step: 782. Total energy = 15396.2080 kcal/mol (15377.4025 without restraints) Performing minimization step: 783. Total energy = 15376.6071 kcal/mol (15357.8138 without restraints) Performing minimization step: 784. Total energy = 15357.0464 kcal/mol (15338.2656 without restraints) Performing minimization step: 785. Total energy = 15337.5274 kcal/mol (15318.7590 without restraints) Performing minimization step: 786. Total energy = 15318.0487 kcal/mol (15299.2924 without restraints) Performing minimization step: 787. Total energy = 15298.6100 kcal/mol (15279.8660 without restraints) Performing minimization step: 788. Total energy = 15279.2117 kcal/mol (15260.4800 without restraints) Performing minimization step: 789. Total energy = 15259.8538 kcal/mol (15241.1343 without restraints) Performing minimization step: 790. Total energy = 15240.5362 kcal/mol (15221.8290 without restraints) Performing minimization step: 791. Total energy = 15221.2586 kcal/mol (15202.5636 without restraints) Performing minimization step: 792. Total energy = 15202.0206 kcal/mol (15183.3376 without restraints) Performing minimization step: 793. Total energy = 15182.8223 kcal/mol (15164.1516 without restraints) Performing minimization step: 794. Total energy = 15163.6637 kcal/mol (15145.0053 without restraints) Performing minimization step: 795. Total energy = 15144.5448 kcal/mol (15125.8986 without restraints) Performing minimization step: 796. Total energy = 15125.4656 kcal/mol (15106.8315 without restraints) Performing minimization step: 797. Total energy = 15106.4256 kcal/mol (15087.8036 without restraints) Performing minimization step: 798. Total energy = 15087.4250 kcal/mol (15068.8151 without restraints) Performing minimization step: 799. Total energy = 15068.4645 kcal/mol (15049.8668 without restraints) Performing minimization step: 800. Total energy = 15049.5419 kcal/mol (15030.9562 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 801. Total energy = 15030.6584 kcal/mol (15012.0849 without restraints) Performing minimization step: 802. Total energy = 15011.8133 kcal/mol (14993.2518 without restraints) Performing minimization step: 803. Total energy = 14993.0075 kcal/mol (14974.4579 without restraints) Performing minimization step: 804. Total energy = 14974.2400 kcal/mol (14955.7025 without restraints) Performing minimization step: 805. Total energy = 14955.5111 kcal/mol (14936.9856 without restraints) Performing minimization step: 806. Total energy = 14936.8203 kcal/mol (14918.3067 without restraints) Performing minimization step: 807. Total energy = 14918.1681 kcal/mol (14899.6666 without restraints) Performing minimization step: 808. Total energy = 14899.5542 kcal/mol (14881.0646 without restraints) Performing minimization step: 809. Total energy = 14880.9781 kcal/mol (14862.5005 without restraints) Performing minimization step: 810. Total energy = 14862.4396 kcal/mol (14843.9739 without restraints) Performing minimization step: 811. Total energy = 14843.9391 kcal/mol (14825.4854 without restraints) Performing minimization step: 812. Total energy = 14825.4768 kcal/mol (14807.0350 without restraints) Performing minimization step: 813. Total energy = 14807.0520 kcal/mol (14788.6219 without restraints) Performing minimization step: 814. Total energy = 14788.6646 kcal/mol (14770.2465 without restraints) Performing minimization step: 815. Total energy = 14770.3148 kcal/mol (14751.9085 without restraints) Performing minimization step: 816. Total energy = 14752.0024 kcal/mol (14733.6080 without restraints) Performing minimization step: 817. Total energy = 14733.7273 kcal/mol (14715.3446 without restraints) Performing minimization step: 818. Total energy = 14715.4891 kcal/mol (14697.1182 without restraints) Performing minimization step: 819. Total energy = 14697.2881 kcal/mol (14678.9291 without restraints) Performing minimization step: 820. Total energy = 14679.1244 kcal/mol (14660.7771 without restraints) Performing minimization step: 821. Total energy = 14660.9976 kcal/mol (14642.6621 without restraints) Performing minimization step: 822. Total energy = 14642.9069 kcal/mol (14624.5831 without restraints) Performing minimization step: 823. Total energy = 14624.8536 kcal/mol (14606.5415 without restraints) Performing minimization step: 824. Total energy = 14606.8362 kcal/mol (14588.5359 without restraints) Performing minimization step: 825. Total energy = 14588.8561 kcal/mol (14570.5674 without restraints) Performing minimization step: 826. Total energy = 14570.9119 kcal/mol (14552.6350 without restraints) Performing minimization step: 827. Total energy = 14553.0040 kcal/mol (14534.7387 without restraints) Performing minimization step: 828. Total energy = 14535.1325 kcal/mol (14516.8788 without restraints) Performing minimization step: 829. Total energy = 14517.2970 kcal/mol (14499.0549 without restraints) Performing minimization step: 830. Total energy = 14499.4977 kcal/mol (14481.2671 without restraints) Performing minimization step: 831. Total energy = 14481.7338 kcal/mol (14463.5150 without restraints) Performing minimization step: 832. Total energy = 14464.0061 kcal/mol (14445.7989 without restraints) Performing minimization step: 833. Total energy = 14446.3143 kcal/mol (14428.1188 without restraints) Performing minimization step: 834. Total energy = 14428.6581 kcal/mol (14410.4740 without restraints) Performing minimization step: 835. Total energy = 14411.0374 kcal/mol (14392.8649 without restraints) Performing minimization step: 836. Total energy = 14393.4523 kcal/mol (14375.2914 without restraints) Performing minimization step: 837. Total energy = 14375.9029 kcal/mol (14357.7535 without restraints) Performing minimization step: 838. Total energy = 14358.3885 kcal/mol (14340.2506 without restraints) Performing minimization step: 839. Total energy = 14340.9092 kcal/mol (14322.7827 without restraints) Performing minimization step: 840. Total energy = 14323.4651 kcal/mol (14305.3502 without restraints) Performing minimization step: 841. Total energy = 14306.0562 kcal/mol (14287.9527 without restraints) Performing minimization step: 842. Total energy = 14288.6824 kcal/mol (14270.5903 without restraints) Performing minimization step: 843. Total energy = 14271.3432 kcal/mol (14253.2625 without restraints) Performing minimization step: 844. Total energy = 14254.0388 kcal/mol (14235.9696 without restraints) Performing minimization step: 845. Total energy = 14236.7695 kcal/mol (14218.7117 without restraints) Performing minimization step: 846. Total energy = 14219.5342 kcal/mol (14201.4876 without restraints) Performing minimization step: 847. Total energy = 14202.3338 kcal/mol (14184.2987 without restraints) Performing minimization step: 848. Total energy = 14185.1678 kcal/mol (14167.1441 without restraints) Performing minimization step: 849. Total energy = 14168.0361 kcal/mol (14150.0237 without restraints) Performing minimization step: 850. Total energy = 14150.9384 kcal/mol (14132.9374 without restraints) Performing minimization step: 851. Total energy = 14133.8754 kcal/mol (14115.8856 without restraints) Performing minimization step: 852. Total energy = 14116.8465 kcal/mol (14098.8680 without restraints) Performing minimization step: 853. Total energy = 14099.8518 kcal/mol (14081.8846 without restraints) Performing minimization step: 854. Total energy = 14082.8910 kcal/mol (14064.9350 without restraints) Performing minimization step: 855. Total energy = 14065.9638 kcal/mol (14048.0191 without restraints) Performing minimization step: 856. Total energy = 14049.0697 kcal/mol (14031.1362 without restraints) Performing minimization step: 857. Total energy = 14032.2100 kcal/mol (14014.2878 without restraints) Performing minimization step: 858. Total energy = 14015.3837 kcal/mol (13997.4725 without restraints) Performing minimization step: 859. Total energy = 13998.5909 kcal/mol (13980.6910 without restraints) Performing minimization step: 860. Total energy = 13981.8316 kcal/mol (13963.9429 without restraints) Performing minimization step: 861. Total energy = 13965.1058 kcal/mol (13947.2283 without restraints) Performing minimization step: 862. Total energy = 13948.4133 kcal/mol (13930.5470 without restraints) Performing minimization step: 863. Total energy = 13931.7542 kcal/mol (13913.8990 without restraints) Performing minimization step: 864. Total energy = 13915.1282 kcal/mol (13897.2841 without restraints) Performing minimization step: 865. Total energy = 13898.5353 kcal/mol (13880.7024 without restraints) Performing minimization step: 866. Total energy = 13881.9753 kcal/mol (13864.1533 without restraints) Performing minimization step: 867. Total energy = 13865.4481 kcal/mol (13847.6372 without restraints) Performing minimization step: 868. Total energy = 13848.9536 kcal/mol (13831.1538 without restraints) Performing minimization step: 869. Total energy = 13832.4922 kcal/mol (13814.7035 without restraints) Performing minimization step: 870. Total energy = 13816.0629 kcal/mol (13798.2850 without restraints) Performing minimization step: 871. Total energy = 13799.6664 kcal/mol (13781.8996 without restraints) Performing minimization step: 872. Total energy = 13783.3023 kcal/mol (13765.5465 without restraints) Performing minimization step: 873. Total energy = 13766.9704 kcal/mol (13749.2254 without restraints) Performing minimization step: 874. Total energy = 13750.6712 kcal/mol (13732.9375 without restraints) Performing minimization step: 875. Total energy = 13734.4045 kcal/mol (13716.6816 without restraints) Performing minimization step: 876. Total energy = 13718.1701 kcal/mol (13700.4583 without restraints) Performing minimization step: 877. Total energy = 13701.9677 kcal/mol (13684.2667 without restraints) Performing minimization step: 878. Total energy = 13685.7974 kcal/mol (13668.1072 without restraints) Performing minimization step: 879. Total energy = 13669.6588 kcal/mol (13651.9795 without restraints) Performing minimization step: 880. Total energy = 13653.5526 kcal/mol (13635.8842 without restraints) Performing minimization step: 881. Total energy = 13637.4780 kcal/mol (13619.8204 without restraints) Performing minimization step: 882. Total energy = 13621.4349 kcal/mol (13603.7881 without restraints) Performing minimization step: 883. Total energy = 13605.4240 kcal/mol (13587.7882 without restraints) Performing minimization step: 884. Total energy = 13589.4446 kcal/mol (13571.8194 without restraints) Performing minimization step: 885. Total energy = 13573.4967 kcal/mol (13555.8825 without restraints) Performing minimization step: 886. Total energy = 13557.5805 kcal/mol (13539.9770 without restraints) Performing minimization step: 887. Total energy = 13541.6954 kcal/mol (13524.1028 without restraints) Performing minimization step: 888. Total energy = 13525.8418 kcal/mol (13508.2598 without restraints) Performing minimization step: 889. Total energy = 13510.0195 kcal/mol (13492.4483 without restraints) Performing minimization step: 890. Total energy = 13494.2281 kcal/mol (13476.6676 without restraints) Performing minimization step: 891. Total energy = 13478.4679 kcal/mol (13460.9181 without restraints) Performing minimization step: 892. Total energy = 13462.7394 kcal/mol (13445.2003 without restraints) Performing minimization step: 893. Total energy = 13447.0416 kcal/mol (13429.5132 without restraints) Performing minimization step: 894. Total energy = 13431.3746 kcal/mol (13413.8568 without restraints) Performing minimization step: 895. Total energy = 13415.7380 kcal/mol (13398.2308 without restraints) Performing minimization step: 896. Total energy = 13400.1326 kcal/mol (13382.6360 without restraints) Performing minimization step: 897. Total energy = 13384.5578 kcal/mol (13367.0719 without restraints) Performing minimization step: 898. Total energy = 13369.0135 kcal/mol (13351.5381 without restraints) Performing minimization step: 899. Total energy = 13353.4997 kcal/mol (13336.0350 without restraints) Performing minimization step: 900. Total energy = 13338.0169 kcal/mol (13320.5629 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 901. Total energy = 13322.5641 kcal/mol (13305.1205 without restraints) Performing minimization step: 902. Total energy = 13307.1416 kcal/mol (13289.7085 without restraints) Performing minimization step: 903. Total energy = 13291.7492 kcal/mol (13274.3266 without restraints) Performing minimization step: 904. Total energy = 13276.3871 kcal/mol (13258.9751 without restraints) Performing minimization step: 905. Total energy = 13261.0550 kcal/mol (13243.6532 without restraints) Performing minimization step: 906. Total energy = 13245.7527 kcal/mol (13228.3617 without restraints) Performing minimization step: 907. Total energy = 13230.4811 kcal/mol (13213.1005 without restraints) Performing minimization step: 908. Total energy = 13215.2387 kcal/mol (13197.8685 without restraints) Performing minimization step: 909. Total energy = 13200.0266 kcal/mol (13182.6669 without restraints) Performing minimization step: 910. Total energy = 13184.8444 kcal/mol (13167.4951 without restraints) Performing minimization step: 911. Total energy = 13169.6919 kcal/mol (13152.3530 without restraints) Performing minimization step: 912. Total energy = 13154.5692 kcal/mol (13137.2407 without restraints) Performing minimization step: 913. Total energy = 13139.4763 kcal/mol (13122.1581 without restraints) Performing minimization step: 914. Total energy = 13124.4126 kcal/mol (13107.1048 without restraints) Performing minimization step: 915. Total energy = 13109.3786 kcal/mol (13092.0812 without restraints) Performing minimization step: 916. Total energy = 13094.3738 kcal/mol (13077.0866 without restraints) Performing minimization step: 917. Total energy = 13079.3984 kcal/mol (13062.1215 without restraints) Performing minimization step: 918. Total energy = 13064.4527 kcal/mol (13047.1861 without restraints) Performing minimization step: 919. Total energy = 13049.5358 kcal/mol (13032.2794 without restraints) Performing minimization step: 920. Total energy = 13034.6480 kcal/mol (13017.4020 without restraints) Performing minimization step: 921. Total energy = 13019.7894 kcal/mol (13002.5536 without restraints) Performing minimization step: 922. Total energy = 13004.9601 kcal/mol (12987.7345 without restraints) Performing minimization step: 923. Total energy = 12990.1594 kcal/mol (12972.9441 without restraints) Performing minimization step: 924. Total energy = 12975.3878 kcal/mol (12958.1826 without restraints) Performing minimization step: 925. Total energy = 12960.6452 kcal/mol (12943.4503 without restraints) Performing minimization step: 926. Total energy = 12945.9306 kcal/mol (12928.7459 without restraints) Performing minimization step: 927. Total energy = 12931.2451 kcal/mol (12914.0705 without restraints) Performing minimization step: 928. Total energy = 12916.5880 kcal/mol (12899.4236 without restraints) Performing minimization step: 929. Total energy = 12901.9600 kcal/mol (12884.8056 without restraints) Performing minimization step: 930. Total energy = 12887.3612 kcal/mol (12870.2170 without restraints) Performing minimization step: 931. Total energy = 12872.7901 kcal/mol (12855.6560 without restraints) Performing minimization step: 932. Total energy = 12858.2470 kcal/mol (12841.1229 without restraints) Performing minimization step: 933. Total energy = 12843.7323 kcal/mol (12826.6183 without restraints) Performing minimization step: 934. Total energy = 12829.2460 kcal/mol (12812.1420 without restraints) Performing minimization step: 935. Total energy = 12814.7880 kcal/mol (12797.6940 without restraints) Performing minimization step: 936. Total energy = 12800.3585 kcal/mol (12783.2746 without restraints) Performing minimization step: 937. Total energy = 12785.9564 kcal/mol (12768.8824 without restraints) Performing minimization step: 938. Total energy = 12771.5827 kcal/mol (12754.5188 without restraints) Performing minimization step: 939. Total energy = 12757.2373 kcal/mol (12740.1833 without restraints) Performing minimization step: 940. Total energy = 12742.9193 kcal/mol (12725.8753 without restraints) Performing minimization step: 941. Total energy = 12728.6289 kcal/mol (12711.5947 without restraints) Performing minimization step: 942. Total energy = 12714.3662 kcal/mol (12697.3421 without restraints) Performing minimization step: 943. Total energy = 12700.1310 kcal/mol (12683.1167 without restraints) Performing minimization step: 944. Total energy = 12685.9241 kcal/mol (12668.9198 without restraints) Performing minimization step: 945. Total energy = 12671.7444 kcal/mol (12654.7500 without restraints) Performing minimization step: 946. Total energy = 12657.5925 kcal/mol (12640.6080 without restraints) Performing minimization step: 947. Total energy = 12643.4679 kcal/mol (12626.4931 without restraints) Performing minimization step: 948. Total energy = 12629.3708 kcal/mol (12612.4061 without restraints) Performing minimization step: 949. Total energy = 12615.3007 kcal/mol (12598.3457 without restraints) Performing minimization step: 950. Total energy = 12601.2582 kcal/mol (12584.3131 without restraints) Performing minimization step: 951. Total energy = 12587.2433 kcal/mol (12570.3081 without restraints) Performing minimization step: 952. Total energy = 12573.2553 kcal/mol (12556.3296 without restraints) Performing minimization step: 953. Total energy = 12559.2942 kcal/mol (12542.3783 without restraints) Performing minimization step: 954. Total energy = 12545.3601 kcal/mol (12528.4539 without restraints) Performing minimization step: 955. Total energy = 12531.4532 kcal/mol (12514.5567 without restraints) Performing minimization step: 956. Total energy = 12517.5730 kcal/mol (12500.6862 without restraints) Performing minimization step: 957. Total energy = 12503.7196 kcal/mol (12486.8425 without restraints) Performing minimization step: 958. Total energy = 12489.8932 kcal/mol (12473.0259 without restraints) Performing minimization step: 959. Total energy = 12476.0937 kcal/mol (12459.2358 without restraints) Performing minimization step: 960. Total energy = 12462.3202 kcal/mol (12445.4721 without restraints) Performing minimization step: 961. Total energy = 12448.5733 kcal/mol (12431.7346 without restraints) Performing minimization step: 962. Total energy = 12434.8531 kcal/mol (12418.0243 without restraints) Performing minimization step: 963. Total energy = 12421.1597 kcal/mol (12404.3404 without restraints) Performing minimization step: 964. Total energy = 12407.4927 kcal/mol (12390.6831 without restraints) Performing minimization step: 965. Total energy = 12393.8526 kcal/mol (12377.0525 without restraints) Performing minimization step: 966. Total energy = 12380.2380 kcal/mol (12363.4474 without restraints) Performing minimization step: 967. Total energy = 12366.6502 kcal/mol (12349.8691 without restraints) Performing minimization step: 968. Total energy = 12353.0886 kcal/mol (12336.3171 without restraints) Performing minimization step: 969. Total energy = 12339.5528 kcal/mol (12322.7908 without restraints) Performing minimization step: 970. Total energy = 12326.0432 kcal/mol (12309.2906 without restraints) Performing minimization step: 971. Total energy = 12312.5597 kcal/mol (12295.8167 without restraints) Performing minimization step: 972. Total energy = 12299.1022 kcal/mol (12282.3686 without restraints) Performing minimization step: 973. Total energy = 12285.6705 kcal/mol (12268.9464 without restraints) Performing minimization step: 974. Total energy = 12272.2649 kcal/mol (12255.5503 without restraints) Performing minimization step: 975. Total energy = 12258.8852 kcal/mol (12242.1799 without restraints) Performing minimization step: 976. Total energy = 12245.5311 kcal/mol (12228.8352 without restraints) Performing minimization step: 977. Total energy = 12232.2029 kcal/mol (12215.5164 without restraints) Performing minimization step: 978. Total energy = 12218.9003 kcal/mol (12202.2231 without restraints) Performing minimization step: 979. Total energy = 12205.6232 kcal/mol (12188.9554 without restraints) Performing minimization step: 980. Total energy = 12192.3714 kcal/mol (12175.7129 without restraints) Performing minimization step: 981. Total energy = 12179.1457 kcal/mol (12162.4966 without restraints) Performing minimization step: 982. Total energy = 12165.9451 kcal/mol (12149.3052 without restraints) Performing minimization step: 983. Total energy = 12152.7700 kcal/mol (12136.1395 without restraints) Performing minimization step: 984. Total energy = 12139.6203 kcal/mol (12122.9990 without restraints) Performing minimization step: 985. Total energy = 12126.4963 kcal/mol (12109.8844 without restraints) Performing minimization step: 986. Total energy = 12113.3967 kcal/mol (12096.7939 without restraints) Performing minimization step: 987. Total energy = 12100.3223 kcal/mol (12083.7288 without restraints) Performing minimization step: 988. Total energy = 12087.2728 kcal/mol (12070.6884 without restraints) Performing minimization step: 989. Total energy = 12074.2481 kcal/mol (12057.6729 without restraints) Performing minimization step: 990. Total energy = 12061.2494 kcal/mol (12044.6833 without restraints) Performing minimization step: 991. Total energy = 12048.2752 kcal/mol (12031.7184 without restraints) Performing minimization step: 992. Total energy = 12035.3255 kcal/mol (12018.7779 without restraints) Performing minimization step: 993. Total energy = 12022.4009 kcal/mol (12005.8624 without restraints) Performing minimization step: 994. Total energy = 12009.5016 kcal/mol (11992.9722 without restraints) Performing minimization step: 995. Total energy = 11996.6260 kcal/mol (11980.1056 without restraints) Performing minimization step: 996. Total energy = 11983.7752 kcal/mol (11967.2640 without restraints) Performing minimization step: 997. Total energy = 11970.9495 kcal/mol (11954.4473 without restraints) Performing minimization step: 998. Total energy = 11958.1477 kcal/mol (11941.6546 without restraints) Performing minimization step: 999. Total energy = 11945.3706 kcal/mol (11928.8865 without restraints) Performing minimization step: 1000. Total energy = 11932.6185 kcal/mol (11916.1436 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1001. Total energy = 11919.8903 kcal/mol (11903.4242 without restraints) Performing minimization step: 1002. Total energy = 11907.1866 kcal/mol (11890.7295 without restraints) Performing minimization step: 1003. Total energy = 11894.5071 kcal/mol (11878.0591 without restraints) Performing minimization step: 1004. Total energy = 11881.8523 kcal/mol (11865.4132 without restraints) Performing minimization step: 1005. Total energy = 11869.2216 kcal/mol (11852.7915 without restraints) Performing minimization step: 1006. Total energy = 11856.6150 kcal/mol (11840.1937 without restraints) Performing minimization step: 1007. Total energy = 11844.0323 kcal/mol (11827.6200 without restraints) Performing minimization step: 1008. Total energy = 11831.4734 kcal/mol (11815.0700 without restraints) Performing minimization step: 1009. Total energy = 11818.9382 kcal/mol (11802.5436 without restraints) Performing minimization step: 1010. Total energy = 11806.4270 kcal/mol (11790.0413 without restraints) Performing minimization step: 1011. Total energy = 11793.9396 kcal/mol (11777.5628 without restraints) Performing minimization step: 1012. Total energy = 11781.4761 kcal/mol (11765.1080 without restraints) Performing minimization step: 1013. Total energy = 11769.0362 kcal/mol (11752.6769 without restraints) Performing minimization step: 1014. Total energy = 11756.6201 kcal/mol (11740.2698 without restraints) Performing minimization step: 1015. Total energy = 11744.2280 kcal/mol (11727.8865 without restraints) Performing minimization step: 1016. Total energy = 11731.8593 kcal/mol (11715.5264 without restraints) Performing minimization step: 1017. Total energy = 11719.5142 kcal/mol (11703.1902 without restraints) Performing minimization step: 1018. Total energy = 11707.1925 kcal/mol (11690.8770 without restraints) Performing minimization step: 1019. Total energy = 11694.8941 kcal/mol (11678.5875 without restraints) Performing minimization step: 1020. Total energy = 11682.6190 kcal/mol (11666.3211 without restraints) Performing minimization step: 1021. Total energy = 11670.3672 kcal/mol (11654.0780 without restraints) Performing minimization step: 1022. Total energy = 11658.1390 kcal/mol (11641.8585 without restraints) Performing minimization step: 1023. Total energy = 11645.9341 kcal/mol (11629.6623 without restraints) Performing minimization step: 1024. Total energy = 11633.7524 kcal/mol (11617.4893 without restraints) Performing minimization step: 1025. Total energy = 11621.5937 kcal/mol (11605.3391 without restraints) Performing minimization step: 1026. Total energy = 11609.4580 kcal/mol (11593.2120 without restraints) Performing minimization step: 1027. Total energy = 11597.3453 kcal/mol (11581.1080 without restraints) Performing minimization step: 1028. Total energy = 11585.2556 kcal/mol (11569.0268 without restraints) Performing minimization step: 1029. Total energy = 11573.1893 kcal/mol (11556.9691 without restraints) Performing minimization step: 1030. Total energy = 11561.1453 kcal/mol (11544.9336 without restraints) Performing minimization step: 1031. Total energy = 11549.1247 kcal/mol (11532.9216 without restraints) Performing minimization step: 1032. Total energy = 11537.1267 kcal/mol (11520.9320 without restraints) Performing minimization step: 1033. Total energy = 11525.1509 kcal/mol (11508.9648 without restraints) Performing minimization step: 1034. Total energy = 11513.1978 kcal/mol (11497.0202 without restraints) Performing minimization step: 1035. Total energy = 11501.2674 kcal/mol (11485.0982 without restraints) Performing minimization step: 1036. Total energy = 11489.3596 kcal/mol (11473.1989 without restraints) Performing minimization step: 1037. Total energy = 11477.4743 kcal/mol (11461.3220 without restraints) Performing minimization step: 1038. Total energy = 11465.6114 kcal/mol (11449.4675 without restraints) Performing minimization step: 1039. Total energy = 11453.7714 kcal/mol (11437.6360 without restraints) Performing minimization step: 1040. Total energy = 11441.9533 kcal/mol (11425.8263 without restraints) Performing minimization step: 1041. Total energy = 11430.1576 kcal/mol (11414.0390 without restraints) Performing minimization step: 1042. Total energy = 11418.3843 kcal/mol (11402.2740 without restraints) Performing minimization step: 1043. Total energy = 11406.6330 kcal/mol (11390.5311 without restraints) Performing minimization step: 1044. Total energy = 11394.9037 kcal/mol (11378.8101 without restraints) Performing minimization step: 1045. Total energy = 11383.1965 kcal/mol (11367.1112 without restraints) Performing minimization step: 1046. Total energy = 11371.5115 kcal/mol (11355.4347 without restraints) Performing minimization step: 1047. Total energy = 11359.8488 kcal/mol (11343.7801 without restraints) Performing minimization step: 1048. Total energy = 11348.2074 kcal/mol (11332.1469 without restraints) Performing minimization step: 1049. Total energy = 11336.5879 kcal/mol (11320.5357 without restraints) Performing minimization step: 1050. Total energy = 11324.9906 kcal/mol (11308.9465 without restraints) Performing minimization step: 1051. Total energy = 11313.4148 kcal/mol (11297.3790 without restraints) Performing minimization step: 1052. Total energy = 11301.8609 kcal/mol (11285.8335 without restraints) Performing minimization step: 1053. Total energy = 11290.3288 kcal/mol (11274.3095 without restraints) Performing minimization step: 1054. Total energy = 11278.8183 kcal/mol (11262.8071 without restraints) Performing minimization step: 1055. Total energy = 11267.3294 kcal/mol (11251.3265 without restraints) Performing minimization step: 1056. Total energy = 11255.8620 kcal/mol (11239.8672 without restraints) Performing minimization step: 1057. Total energy = 11244.4158 kcal/mol (11228.4290 without restraints) Performing minimization step: 1058. Total energy = 11232.9914 kcal/mol (11217.0129 without restraints) Performing minimization step: 1059. Total energy = 11221.5884 kcal/mol (11205.6179 without restraints) Performing minimization step: 1060. Total energy = 11210.2065 kcal/mol (11194.2441 without restraints) Performing minimization step: 1061. Total energy = 11198.8463 kcal/mol (11182.8920 without restraints) Performing minimization step: 1062. Total energy = 11187.5074 kcal/mol (11171.5612 without restraints) Performing minimization step: 1063. Total energy = 11176.1893 kcal/mol (11160.2511 without restraints) Performing minimization step: 1064. Total energy = 11164.8926 kcal/mol (11148.9624 without restraints) Performing minimization step: 1065. Total energy = 11153.6169 kcal/mol (11137.6947 without restraints) Performing minimization step: 1066. Total energy = 11142.3632 kcal/mol (11126.4492 without restraints) Performing minimization step: 1067. Total energy = 11131.1299 kcal/mol (11115.2238 without restraints) Performing minimization step: 1068. Total energy = 11119.9176 kcal/mol (11104.0194 without restraints) Performing minimization step: 1069. Total energy = 11108.7263 kcal/mol (11092.8362 without restraints) Performing minimization step: 1070. Total energy = 11097.5560 kcal/mol (11081.6738 without restraints) Performing minimization step: 1071. Total energy = 11086.4063 kcal/mol (11070.5319 without restraints) Performing minimization step: 1072. Total energy = 11075.2769 kcal/mol (11059.4103 without restraints) Performing minimization step: 1073. Total energy = 11064.1683 kcal/mol (11048.3096 without restraints) Performing minimization step: 1074. Total energy = 11053.0803 kcal/mol (11037.2296 without restraints) Performing minimization step: 1075. Total energy = 11042.0133 kcal/mol (11026.1703 without restraints) Performing minimization step: 1076. Total energy = 11030.9665 kcal/mol (11015.1314 without restraints) Performing minimization step: 1077. Total energy = 11019.9406 kcal/mol (11004.1133 without restraints) Performing minimization step: 1078. Total energy = 11008.9350 kcal/mol (10993.1155 without restraints) Performing minimization step: 1079. Total energy = 10997.9497 kcal/mol (10982.1380 without restraints) Performing minimization step: 1080. Total energy = 10986.9850 kcal/mol (10971.1809 without restraints) Performing minimization step: 1081. Total energy = 10976.0403 kcal/mol (10960.2440 without restraints) Performing minimization step: 1082. Total energy = 10965.1159 kcal/mol (10949.3275 without restraints) Performing minimization step: 1083. Total energy = 10954.2123 kcal/mol (10938.4317 without restraints) Performing minimization step: 1084. Total energy = 10943.3291 kcal/mol (10927.5561 without restraints) Performing minimization step: 1085. Total energy = 10932.4656 kcal/mol (10916.7004 without restraints) Performing minimization step: 1086. Total energy = 10921.6225 kcal/mol (10905.8649 without restraints) Performing minimization step: 1087. Total energy = 10910.7990 kcal/mol (10895.0491 without restraints) Performing minimization step: 1088. Total energy = 10899.9956 kcal/mol (10884.2534 without restraints) Performing minimization step: 1089. Total energy = 10889.2124 kcal/mol (10873.4778 without restraints) Performing minimization step: 1090. Total energy = 10878.4490 kcal/mol (10862.7220 without restraints) Performing minimization step: 1091. Total energy = 10867.7055 kcal/mol (10851.9861 without restraints) Performing minimization step: 1092. Total energy = 10856.9821 kcal/mol (10841.2703 without restraints) Performing minimization step: 1093. Total energy = 10846.2790 kcal/mol (10830.5748 without restraints) Performing minimization step: 1094. Total energy = 10835.5948 kcal/mol (10819.8982 without restraints) Performing minimization step: 1095. Total energy = 10824.9299 kcal/mol (10809.2409 without restraints) Performing minimization step: 1096. Total energy = 10814.2857 kcal/mol (10798.6041 without restraints) Performing minimization step: 1097. Total energy = 10803.6608 kcal/mol (10787.9868 without restraints) Performing minimization step: 1098. Total energy = 10793.0551 kcal/mol (10777.3887 without restraints) Performing minimization step: 1099. Total energy = 10782.4690 kcal/mol (10766.8100 without restraints) Performing minimization step: 1100. Total energy = 10771.9021 kcal/mol (10756.2506 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1101. Total energy = 10761.3549 kcal/mol (10745.7108 without restraints) Performing minimization step: 1102. Total energy = 10750.8270 kcal/mol (10735.1904 without restraints) Performing minimization step: 1103. Total energy = 10740.3187 kcal/mol (10724.6895 without restraints) Performing minimization step: 1104. Total energy = 10729.8294 kcal/mol (10714.2077 without restraints) Performing minimization step: 1105. Total energy = 10719.3594 kcal/mol (10703.7450 without restraints) Performing minimization step: 1106. Total energy = 10708.9090 kcal/mol (10693.3022 without restraints) Performing minimization step: 1107. Total energy = 10698.4774 kcal/mol (10682.8778 without restraints) Performing minimization step: 1108. Total energy = 10688.0650 kcal/mol (10672.4727 without restraints) Performing minimization step: 1109. Total energy = 10677.6710 kcal/mol (10662.0861 without restraints) Performing minimization step: 1110. Total energy = 10667.2965 kcal/mol (10651.7189 without restraints) Performing minimization step: 1111. Total energy = 10656.9411 kcal/mol (10641.3708 without restraints) Performing minimization step: 1112. Total energy = 10646.6042 kcal/mol (10631.0412 without restraints) Performing minimization step: 1113. Total energy = 10636.2862 kcal/mol (10620.7304 without restraints) Performing minimization step: 1114. Total energy = 10625.9874 kcal/mol (10610.4390 without restraints) Performing minimization step: 1115. Total energy = 10615.7072 kcal/mol (10600.1660 without restraints) Performing minimization step: 1116. Total energy = 10605.4458 kcal/mol (10589.9119 without restraints) Performing minimization step: 1117. Total energy = 10595.2031 kcal/mol (10579.6763 without restraints) Performing minimization step: 1118. Total energy = 10584.9789 kcal/mol (10569.4594 without restraints) Performing minimization step: 1119. Total energy = 10574.7734 kcal/mol (10559.2611 without restraints) Performing minimization step: 1120. Total energy = 10564.5864 kcal/mol (10549.0812 without restraints) Performing minimization step: 1121. Total energy = 10554.4178 kcal/mol (10538.9198 without restraints) Performing minimization step: 1122. Total energy = 10544.2678 kcal/mol (10528.7769 without restraints) Performing minimization step: 1123. Total energy = 10534.1360 kcal/mol (10518.6523 without restraints) Performing minimization step: 1124. Total energy = 10524.0230 kcal/mol (10508.5464 without restraints) Performing minimization step: 1125. Total energy = 10513.9282 kcal/mol (10498.4587 without restraints) Performing minimization step: 1126. Total energy = 10503.8519 kcal/mol (10488.3895 without restraints) Performing minimization step: 1127. Total energy = 10493.7936 kcal/mol (10478.3382 without restraints) Performing minimization step: 1128. Total energy = 10483.7532 kcal/mol (10468.3050 without restraints) Performing minimization step: 1129. Total energy = 10473.7311 kcal/mol (10458.2899 without restraints) Performing minimization step: 1130. Total energy = 10463.7275 kcal/mol (10448.2931 without restraints) Performing minimization step: 1131. Total energy = 10453.7415 kcal/mol (10438.3144 without restraints) Performing minimization step: 1132. Total energy = 10443.7736 kcal/mol (10428.3533 without restraints) Performing minimization step: 1133. Total energy = 10433.8239 kcal/mol (10418.4108 without restraints) Performing minimization step: 1134. Total energy = 10423.8921 kcal/mol (10408.4859 without restraints) Performing minimization step: 1135. Total energy = 10413.9780 kcal/mol (10398.5787 without restraints) Performing minimization step: 1136. Total energy = 10404.0821 kcal/mol (10388.6899 without restraints) Performing minimization step: 1137. Total energy = 10394.2043 kcal/mol (10378.8189 without restraints) Performing minimization step: 1138. Total energy = 10384.3437 kcal/mol (10368.9653 without restraints) Performing minimization step: 1139. Total energy = 10374.5011 kcal/mol (10359.1295 without restraints) Performing minimization step: 1140. Total energy = 10364.6758 kcal/mol (10349.3112 without restraints) Performing minimization step: 1141. Total energy = 10354.8684 kcal/mol (10339.5107 without restraints) Performing minimization step: 1142. Total energy = 10345.0786 kcal/mol (10329.7277 without restraints) Performing minimization step: 1143. Total energy = 10335.3066 kcal/mol (10319.9626 without restraints) Performing minimization step: 1144. Total energy = 10325.5526 kcal/mol (10310.2154 without restraints) Performing minimization step: 1145. Total energy = 10315.8155 kcal/mol (10300.4850 without restraints) Performing minimization step: 1146. Total energy = 10306.0962 kcal/mol (10290.7727 without restraints) Performing minimization step: 1147. Total energy = 10296.3937 kcal/mol (10281.0769 without restraints) Performing minimization step: 1148. Total energy = 10286.7084 kcal/mol (10271.3983 without restraints) Performing minimization step: 1149. Total energy = 10277.0404 kcal/mol (10261.7371 without restraints) Performing minimization step: 1150. Total energy = 10267.3902 kcal/mol (10252.0937 without restraints) Performing minimization step: 1151. Total energy = 10257.7569 kcal/mol (10242.4672 without restraints) Performing minimization step: 1152. Total energy = 10248.1408 kcal/mol (10232.8578 without restraints) Performing minimization step: 1153. Total energy = 10238.5418 kcal/mol (10223.2655 without restraints) Performing minimization step: 1154. Total energy = 10228.9603 kcal/mol (10213.6906 without restraints) Performing minimization step: 1155. Total energy = 10219.3956 kcal/mol (10204.1327 without restraints) Performing minimization step: 1156. Total energy = 10209.8476 kcal/mol (10194.5913 without restraints) Performing minimization step: 1157. Total energy = 10200.3166 kcal/mol (10185.0669 without restraints) Performing minimization step: 1158. Total energy = 10190.8028 kcal/mol (10175.5598 without restraints) Performing minimization step: 1159. Total energy = 10181.3056 kcal/mol (10166.0692 without restraints) Performing minimization step: 1160. Total energy = 10171.8257 kcal/mol (10156.5959 without restraints) Performing minimization step: 1161. Total energy = 10162.3625 kcal/mol (10147.1393 without restraints) Performing minimization step: 1162. Total energy = 10152.9156 kcal/mol (10137.6990 without restraints) Performing minimization step: 1163. Total energy = 10143.4856 kcal/mol (10128.2756 without restraints) Performing minimization step: 1164. Total energy = 10134.0721 kcal/mol (10118.8687 without restraints) Performing minimization step: 1165. Total energy = 10124.6757 kcal/mol (10109.4787 without restraints) Performing minimization step: 1166. Total energy = 10115.2952 kcal/mol (10100.1048 without restraints) Performing minimization step: 1167. Total energy = 10105.9319 kcal/mol (10090.7481 without restraints) Performing minimization step: 1168. Total energy = 10096.5848 kcal/mol (10081.4074 without restraints) Performing minimization step: 1169. Total energy = 10087.2541 kcal/mol (10072.0832 without restraints) Performing minimization step: 1170. Total energy = 10077.9399 kcal/mol (10062.7754 without restraints) Performing minimization step: 1171. Total energy = 10068.6422 kcal/mol (10053.4843 without restraints) Performing minimization step: 1172. Total energy = 10059.3609 kcal/mol (10044.2094 without restraints) Performing minimization step: 1173. Total energy = 10050.0952 kcal/mol (10034.9501 without restraints) Performing minimization step: 1174. Total energy = 10040.8469 kcal/mol (10025.7082 without restraints) Performing minimization step: 1175. Total energy = 10031.6147 kcal/mol (10016.4825 without restraints) Performing minimization step: 1176. Total energy = 10022.3984 kcal/mol (10007.2726 without restraints) Performing minimization step: 1177. Total energy = 10013.1982 kcal/mol (9998.0787 without restraints) Performing minimization step: 1178. Total energy = 10004.0143 kcal/mol (9988.9012 without restraints) Performing minimization step: 1179. Total energy = 9994.8465 kcal/mol (9979.7397 without restraints) Performing minimization step: 1180. Total energy = 9985.6947 kcal/mol (9970.5942 without restraints) Performing minimization step: 1181. Total energy = 9976.5587 kcal/mol (9961.4646 without restraints) Performing minimization step: 1182. Total energy = 9967.4387 kcal/mol (9952.3509 without restraints) Performing minimization step: 1183. Total energy = 9958.3347 kcal/mol (9943.2532 without restraints) Performing minimization step: 1184. Total energy = 9949.2467 kcal/mol (9934.1715 without restraints) Performing minimization step: 1185. Total energy = 9940.1740 kcal/mol (9925.1049 without restraints) Performing minimization step: 1186. Total energy = 9931.1172 kcal/mol (9916.0546 without restraints) Performing minimization step: 1187. Total energy = 9922.0764 kcal/mol (9907.0200 without restraints) Performing minimization step: 1188. Total energy = 9913.0518 kcal/mol (9898.0016 without restraints) Performing minimization step: 1189. Total energy = 9904.0425 kcal/mol (9888.9987 without restraints) Performing minimization step: 1190. Total energy = 9895.0497 kcal/mol (9880.0120 without restraints) Performing minimization step: 1191. Total energy = 9886.0716 kcal/mol (9871.0401 without restraints) Performing minimization step: 1192. Total energy = 9877.1088 kcal/mol (9862.0833 without restraints) Performing minimization step: 1193. Total energy = 9868.1618 kcal/mol (9853.1426 without restraints) Performing minimization step: 1194. Total energy = 9859.2294 kcal/mol (9844.2164 without restraints) Performing minimization step: 1195. Total energy = 9850.3130 kcal/mol (9835.3062 without restraints) Performing minimization step: 1196. Total energy = 9841.4122 kcal/mol (9826.4115 without restraints) Performing minimization step: 1197. Total energy = 9832.5268 kcal/mol (9817.5322 without restraints) Performing minimization step: 1198. Total energy = 9823.6569 kcal/mol (9808.6684 without restraints) Performing minimization step: 1199. Total energy = 9814.8023 kcal/mol (9799.8199 without restraints) Performing minimization step: 1200. Total energy = 9805.9624 kcal/mol (9790.9860 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1201. Total energy = 9797.1380 kcal/mol (9782.1677 without restraints) Performing minimization step: 1202. Total energy = 9788.3289 kcal/mol (9773.3645 without restraints) Performing minimization step: 1203. Total energy = 9779.5346 kcal/mol (9764.5764 without restraints) Performing minimization step: 1204. Total energy = 9770.7552 kcal/mol (9755.8031 without restraints) Performing minimization step: 1205. Total energy = 9761.9914 kcal/mol (9747.0452 without restraints) Performing minimization step: 1206. Total energy = 9753.2425 kcal/mol (9738.3024 without restraints) Performing minimization step: 1207. Total energy = 9744.5086 kcal/mol (9729.5745 without restraints) Performing minimization step: 1208. Total energy = 9735.7904 kcal/mol (9720.8622 without restraints) Performing minimization step: 1209. Total energy = 9727.0863 kcal/mol (9712.1641 without restraints) Performing minimization step: 1210. Total energy = 9718.3973 kcal/mol (9703.4813 without restraints) Performing minimization step: 1211. Total energy = 9709.7232 kcal/mol (9694.8129 without restraints) Performing minimization step: 1212. Total energy = 9701.0638 kcal/mol (9686.1595 without restraints) Performing minimization step: 1213. Total energy = 9692.4194 kcal/mol (9677.5209 without restraints) Performing minimization step: 1214. Total energy = 9683.7895 kcal/mol (9668.8970 without restraints) Performing minimization step: 1215. Total energy = 9675.1745 kcal/mol (9660.2879 without restraints) Performing minimization step: 1216. Total energy = 9666.5739 kcal/mol (9651.6933 without restraints) Performing minimization step: 1217. Total energy = 9657.9879 kcal/mol (9643.1131 without restraints) Performing minimization step: 1218. Total energy = 9649.4164 kcal/mol (9634.5473 without restraints) Performing minimization step: 1219. Total energy = 9640.8591 kcal/mol (9625.9960 without restraints) Performing minimization step: 1220. Total energy = 9632.3167 kcal/mol (9617.4594 without restraints) Performing minimization step: 1221. Total energy = 9623.7884 kcal/mol (9608.9369 without restraints) Performing minimization step: 1222. Total energy = 9615.2748 kcal/mol (9600.4291 without restraints) Performing minimization step: 1223. Total energy = 9606.7752 kcal/mol (9591.9353 without restraints) Performing minimization step: 1224. Total energy = 9598.2904 kcal/mol (9583.4565 without restraints) Performing minimization step: 1225. Total energy = 9589.8200 kcal/mol (9574.9917 without restraints) Performing minimization step: 1226. Total energy = 9581.3632 kcal/mol (9566.5407 without restraints) Performing minimization step: 1227. Total energy = 9572.9210 kcal/mol (9558.1042 without restraints) Performing minimization step: 1228. Total energy = 9564.4931 kcal/mol (9549.6821 without restraints) Performing minimization step: 1229. Total energy = 9556.0797 kcal/mol (9541.2745 without restraints) Performing minimization step: 1230. Total energy = 9547.6803 kcal/mol (9532.8808 without restraints) Performing minimization step: 1231. Total energy = 9539.2951 kcal/mol (9524.5013 without restraints) Performing minimization step: 1232. Total energy = 9530.9236 kcal/mol (9516.1355 without restraints) Performing minimization step: 1233. Total energy = 9522.5667 kcal/mol (9507.7842 without restraints) Performing minimization step: 1234. Total energy = 9514.2240 kcal/mol (9499.4472 without restraints) Performing minimization step: 1235. Total energy = 9505.8948 kcal/mol (9491.1237 without restraints) Performing minimization step: 1236. Total energy = 9497.5794 kcal/mol (9482.8139 without restraints) Performing minimization step: 1237. Total energy = 9489.2780 kcal/mol (9474.5181 without restraints) Performing minimization step: 1238. Total energy = 9480.9904 kcal/mol (9466.2362 without restraints) Performing minimization step: 1239. Total energy = 9472.7168 kcal/mol (9457.9682 without restraints) Performing minimization step: 1240. Total energy = 9464.4565 kcal/mol (9449.7135 without restraints) Performing minimization step: 1241. Total energy = 9456.2098 kcal/mol (9441.4724 without restraints) Performing minimization step: 1242. Total energy = 9447.9772 kcal/mol (9433.2453 without restraints) Performing minimization step: 1243. Total energy = 9439.7583 kcal/mol (9425.0320 without restraints) Performing minimization step: 1244. Total energy = 9431.5532 kcal/mol (9416.8324 without restraints) Performing minimization step: 1245. Total energy = 9423.3622 kcal/mol (9408.6469 without restraints) Performing minimization step: 1246. Total energy = 9415.1841 kcal/mol (9400.4745 without restraints) Performing minimization step: 1247. Total energy = 9407.0199 kcal/mol (9392.3160 without restraints) Performing minimization step: 1248. Total energy = 9398.8693 kcal/mol (9384.1707 without restraints) Performing minimization step: 1249. Total energy = 9390.7321 kcal/mol (9376.0390 without restraints) Performing minimization step: 1250. Total energy = 9382.6083 kcal/mol (9367.9209 without restraints) Performing minimization step: 1251. Total energy = 9374.4984 kcal/mol (9359.8163 without restraints) Performing minimization step: 1252. Total energy = 9366.4012 kcal/mol (9351.7246 without restraints) Performing minimization step: 1253. Total energy = 9358.3176 kcal/mol (9343.6465 without restraints) Performing minimization step: 1254. Total energy = 9350.2478 kcal/mol (9335.5821 without restraints) Performing minimization step: 1255. Total energy = 9342.1905 kcal/mol (9327.5302 without restraints) Performing minimization step: 1256. Total energy = 9334.1467 kcal/mol (9319.4919 without restraints) Performing minimization step: 1257. Total energy = 9326.1162 kcal/mol (9311.4668 without restraints) Performing minimization step: 1258. Total energy = 9318.0989 kcal/mol (9303.4552 without restraints) Performing minimization step: 1259. Total energy = 9310.0950 kcal/mol (9295.4564 without restraints) Performing minimization step: 1260. Total energy = 9302.1041 kcal/mol (9287.4709 without restraints) Performing minimization step: 1261. Total energy = 9294.1262 kcal/mol (9279.4983 without restraints) Performing minimization step: 1262. Total energy = 9286.1608 kcal/mol (9271.5383 without restraints) Performing minimization step: 1263. Total energy = 9278.2089 kcal/mol (9263.5918 without restraints) Performing minimization step: 1264. Total energy = 9270.2702 kcal/mol (9255.6587 without restraints) Performing minimization step: 1265. Total energy = 9262.3445 kcal/mol (9247.7380 without restraints) Performing minimization step: 1266. Total energy = 9254.4314 kcal/mol (9239.8303 without restraints) Performing minimization step: 1267. Total energy = 9246.5317 kcal/mol (9231.9359 without restraints) Performing minimization step: 1268. Total energy = 9238.6438 kcal/mol (9224.0533 without restraints) Performing minimization step: 1269. Total energy = 9230.7692 kcal/mol (9216.1840 without restraints) Performing minimization step: 1270. Total energy = 9222.9075 kcal/mol (9208.3276 without restraints) Performing minimization step: 1271. Total energy = 9215.0583 kcal/mol (9200.4836 without restraints) Performing minimization step: 1272. Total energy = 9207.2221 kcal/mol (9192.6526 without restraints) Performing minimization step: 1273. Total energy = 9199.3983 kcal/mol (9184.8341 without restraints) Performing minimization step: 1274. Total energy = 9191.5872 kcal/mol (9177.0283 without restraints) Performing minimization step: 1275. Total energy = 9183.7885 kcal/mol (9169.2348 without restraints) Performing minimization step: 1276. Total energy = 9176.0024 kcal/mol (9161.4539 without restraints) Performing minimization step: 1277. Total energy = 9168.2289 kcal/mol (9153.6856 without restraints) Performing minimization step: 1278. Total energy = 9160.4686 kcal/mol (9145.9305 without restraints) Performing minimization step: 1279. Total energy = 9152.7206 kcal/mol (9138.1877 without restraints) Performing minimization step: 1280. Total energy = 9144.9841 kcal/mol (9130.4564 without restraints) Performing minimization step: 1281. Total energy = 9137.2607 kcal/mol (9122.7382 without restraints) Performing minimization step: 1282. Total energy = 9129.5502 kcal/mol (9115.0329 without restraints) Performing minimization step: 1283. Total energy = 9121.8517 kcal/mol (9107.3394 without restraints) Performing minimization step: 1284. Total energy = 9114.1654 kcal/mol (9099.6583 without restraints) Performing minimization step: 1285. Total energy = 9106.4917 kcal/mol (9091.9897 without restraints) Performing minimization step: 1286. Total energy = 9098.8300 kcal/mol (9084.3331 without restraints) Performing minimization step: 1287. Total energy = 9091.1806 kcal/mol (9076.6889 without restraints) Performing minimization step: 1288. Total energy = 9083.5432 kcal/mol (9069.0566 without restraints) Performing minimization step: 1289. Total energy = 9075.9184 kcal/mol (9061.4371 without restraints) Performing minimization step: 1290. Total energy = 9068.3056 kcal/mol (9053.8292 without restraints) Performing minimization step: 1291. Total energy = 9060.7049 kcal/mol (9046.2335 without restraints) Performing minimization step: 1292. Total energy = 9053.1164 kcal/mol (9038.6500 without restraints) Performing minimization step: 1293. Total energy = 9045.5394 kcal/mol (9031.0781 without restraints) Performing minimization step: 1294. Total energy = 9037.9751 kcal/mol (9023.5189 without restraints) Performing minimization step: 1295. Total energy = 9030.4228 kcal/mol (9015.9716 without restraints) Performing minimization step: 1296. Total energy = 9022.8821 kcal/mol (9008.4359 without restraints) Performing minimization step: 1297. Total energy = 9015.3533 kcal/mol (9000.9122 without restraints) Performing minimization step: 1298. Total energy = 9007.8363 kcal/mol (8993.4002 without restraints) Performing minimization step: 1299. Total energy = 9000.3319 kcal/mol (8985.9008 without restraints) Performing minimization step: 1300. Total energy = 8992.8393 kcal/mol (8978.4133 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1301. Total energy = 8985.3584 kcal/mol (8970.9373 without restraints) Performing minimization step: 1302. Total energy = 8977.8894 kcal/mol (8963.4733 without restraints) Performing minimization step: 1303. Total energy = 8970.4319 kcal/mol (8956.0206 without restraints) Performing minimization step: 1304. Total energy = 8962.9862 kcal/mol (8948.5800 without restraints) Performing minimization step: 1305. Total energy = 8955.5522 kcal/mol (8941.1509 without restraints) Performing minimization step: 1306. Total energy = 8948.1300 kcal/mol (8933.7337 without restraints) Performing minimization step: 1307. Total energy = 8940.7189 kcal/mol (8926.3274 without restraints) Performing minimization step: 1308. Total energy = 8933.3200 kcal/mol (8918.9335 without restraints) Performing minimization step: 1309. Total energy = 8925.9323 kcal/mol (8911.5507 without restraints) Performing minimization step: 1310. Total energy = 8918.5564 kcal/mol (8904.1797 without restraints) Performing minimization step: 1311. Total energy = 8911.1921 kcal/mol (8896.8203 without restraints) Performing minimization step: 1312. Total energy = 8903.8388 kcal/mol (8889.4718 without restraints) Performing minimization step: 1313. Total energy = 8896.4974 kcal/mol (8882.1354 without restraints) Performing minimization step: 1314. Total energy = 8889.1674 kcal/mol (8874.8103 without restraints) Performing minimization step: 1315. Total energy = 8881.8490 kcal/mol (8867.4966 without restraints) Performing minimization step: 1316. Total energy = 8874.5420 kcal/mol (8860.1945 without restraints) Performing minimization step: 1317. Total energy = 8867.2462 kcal/mol (8852.9034 without restraints) Performing minimization step: 1318. Total energy = 8859.9616 kcal/mol (8845.6238 without restraints) Performing minimization step: 1319. Total energy = 8852.6883 kcal/mol (8838.3554 without restraints) Performing minimization step: 1320. Total energy = 8845.4267 kcal/mol (8831.0984 without restraints) Performing minimization step: 1321. Total energy = 8838.1761 kcal/mol (8823.8527 without restraints) Performing minimization step: 1322. Total energy = 8830.9367 kcal/mol (8816.6182 without restraints) Performing minimization step: 1323. Total energy = 8823.7088 kcal/mol (8809.3951 without restraints) Performing minimization step: 1324. Total energy = 8816.4917 kcal/mol (8802.1827 without restraints) Performing minimization step: 1325. Total energy = 8809.2861 kcal/mol (8794.9820 without restraints) Performing minimization step: 1326. Total energy = 8802.0918 kcal/mol (8787.7923 without restraints) Performing minimization step: 1327. Total energy = 8794.9082 kcal/mol (8780.6135 without restraints) Performing minimization step: 1328. Total energy = 8787.7358 kcal/mol (8773.4460 without restraints) Performing minimization step: 1329. Total energy = 8780.5742 kcal/mol (8766.2890 without restraints) Performing minimization step: 1330. Total energy = 8773.4237 kcal/mol (8759.1432 without restraints) Performing minimization step: 1331. Total energy = 8766.2845 kcal/mol (8752.0089 without restraints) Performing minimization step: 1332. Total energy = 8759.1564 kcal/mol (8744.8855 without restraints) Performing minimization step: 1333. Total energy = 8752.0391 kcal/mol (8737.7728 without restraints) Performing minimization step: 1334. Total energy = 8744.9322 kcal/mol (8730.6706 without restraints) Performing minimization step: 1335. Total energy = 8737.8361 kcal/mol (8723.5791 without restraints) Performing minimization step: 1336. Total energy = 8730.7510 kcal/mol (8716.4988 without restraints) Performing minimization step: 1337. Total energy = 8723.6767 kcal/mol (8709.4291 without restraints) Performing minimization step: 1338. Total energy = 8716.6133 kcal/mol (8702.3704 without restraints) Performing minimization step: 1339. Total energy = 8709.5610 kcal/mol (8695.3229 without restraints) Performing minimization step: 1340. Total energy = 8702.5191 kcal/mol (8688.2854 without restraints) Performing minimization step: 1341. Total energy = 8695.4876 kcal/mol (8681.2587 without restraints) Performing minimization step: 1342. Total energy = 8688.4671 kcal/mol (8674.2428 without restraints) Performing minimization step: 1343. Total energy = 8681.4574 kcal/mol (8667.2378 without restraints) Performing minimization step: 1344. Total energy = 8674.4583 kcal/mol (8660.2433 without restraints) Performing minimization step: 1345. Total energy = 8667.4699 kcal/mol (8653.2594 without restraints) Performing minimization step: 1346. Total energy = 8660.4918 kcal/mol (8646.2858 without restraints) Performing minimization step: 1347. Total energy = 8653.5242 kcal/mol (8639.3230 without restraints) Performing minimization step: 1348. Total energy = 8646.5676 kcal/mol (8632.3710 without restraints) Performing minimization step: 1349. Total energy = 8639.6211 kcal/mol (8625.4291 without restraints) Performing minimization step: 1350. Total energy = 8632.6852 kcal/mol (8618.4978 without restraints) Performing minimization step: 1351. Total energy = 8625.7596 kcal/mol (8611.5767 without restraints) Performing minimization step: 1352. Total energy = 8618.8446 kcal/mol (8604.6662 without restraints) Performing minimization step: 1353. Total energy = 8611.9400 kcal/mol (8597.7662 without restraints) Performing minimization step: 1354. Total energy = 8605.0458 kcal/mol (8590.8767 without restraints) Performing minimization step: 1355. Total energy = 8598.1618 kcal/mol (8583.9972 without restraints) Performing minimization step: 1356. Total energy = 8591.2883 kcal/mol (8577.1282 without restraints) Performing minimization step: 1357. Total energy = 8584.4250 kcal/mol (8570.2694 without restraints) Performing minimization step: 1358. Total energy = 8577.5721 kcal/mol (8563.4209 without restraints) Performing minimization step: 1359. Total energy = 8570.7294 kcal/mol (8556.5828 without restraints) Performing minimization step: 1360. Total energy = 8563.8967 kcal/mol (8549.7546 without restraints) Performing minimization step: 1361. Total energy = 8557.0748 kcal/mol (8542.9372 without restraints) Performing minimization step: 1362. Total energy = 8550.2629 kcal/mol (8536.1298 without restraints) Performing minimization step: 1363. Total energy = 8543.4610 kcal/mol (8529.3324 without restraints) Performing minimization step: 1364. Total energy = 8536.6693 kcal/mol (8522.5452 without restraints) Performing minimization step: 1365. Total energy = 8529.8877 kcal/mol (8515.7680 without restraints) Performing minimization step: 1366. Total energy = 8523.1159 kcal/mol (8509.0007 without restraints) Performing minimization step: 1367. Total energy = 8516.3540 kcal/mol (8502.2434 without restraints) Performing minimization step: 1368. Total energy = 8509.6024 kcal/mol (8495.4961 without restraints) Performing minimization step: 1369. Total energy = 8502.8610 kcal/mol (8488.7591 without restraints) Performing minimization step: 1370. Total energy = 8496.1296 kcal/mol (8482.0321 without restraints) Performing minimization step: 1371. Total energy = 8489.4079 kcal/mol (8475.3149 without restraints) Performing minimization step: 1372. Total energy = 8482.6963 kcal/mol (8468.6077 without restraints) Performing minimization step: 1373. Total energy = 8475.9946 kcal/mol (8461.9104 without restraints) Performing minimization step: 1374. Total energy = 8469.3027 kcal/mol (8455.2229 without restraints) Performing minimization step: 1375. Total energy = 8462.6207 kcal/mol (8448.5452 without restraints) Performing minimization step: 1376. Total energy = 8455.9485 kcal/mol (8441.8776 without restraints) Performing minimization step: 1377. Total energy = 8449.2863 kcal/mol (8435.2197 without restraints) Performing minimization step: 1378. Total energy = 8442.6336 kcal/mol (8428.5714 without restraints) Performing minimization step: 1379. Total energy = 8435.9910 kcal/mol (8421.9333 without restraints) Performing minimization step: 1380. Total energy = 8429.3582 kcal/mol (8415.3048 without restraints) Performing minimization step: 1381. Total energy = 8422.7352 kcal/mol (8408.6861 without restraints) Performing minimization step: 1382. Total energy = 8416.1217 kcal/mol (8402.0770 without restraints) Performing minimization step: 1383. Total energy = 8409.5178 kcal/mol (8395.4776 without restraints) Performing minimization step: 1384. Total energy = 8402.9240 kcal/mol (8388.8879 without restraints) Performing minimization step: 1385. Total energy = 8396.3393 kcal/mol (8382.3076 without restraints) Performing minimization step: 1386. Total energy = 8389.7643 kcal/mol (8375.7370 without restraints) Performing minimization step: 1387. Total energy = 8383.1990 kcal/mol (8369.1760 without restraints) Performing minimization step: 1388. Total energy = 8376.6433 kcal/mol (8362.6247 without restraints) Performing minimization step: 1389. Total energy = 8370.0972 kcal/mol (8356.0828 without restraints) Performing minimization step: 1390. Total energy = 8363.5604 kcal/mol (8349.5504 without restraints) Performing minimization step: 1391. Total energy = 8357.0333 kcal/mol (8343.0276 without restraints) Performing minimization step: 1392. Total energy = 8350.5159 kcal/mol (8336.5144 without restraints) Performing minimization step: 1393. Total energy = 8344.0075 kcal/mol (8330.0104 without restraints) Performing minimization step: 1394. Total energy = 8337.5088 kcal/mol (8323.5159 without restraints) Performing minimization step: 1395. Total energy = 8331.0192 kcal/mol (8317.0306 without restraints) Performing minimization step: 1396. Total energy = 8324.5390 kcal/mol (8310.5547 without restraints) Performing minimization step: 1397. Total energy = 8318.0680 kcal/mol (8304.0877 without restraints) Performing minimization step: 1398. Total energy = 8311.6067 kcal/mol (8297.6309 without restraints) Performing minimization step: 1399. Total energy = 8305.1548 kcal/mol (8291.1832 without restraints) Performing minimization step: 1400. Total energy = 8298.7121 kcal/mol (8284.7448 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1401. Total energy = 8292.2787 kcal/mol (8278.3156 without restraints) Performing minimization step: 1402. Total energy = 8285.8548 kcal/mol (8271.8960 without restraints) Performing minimization step: 1403. Total energy = 8279.4400 kcal/mol (8265.4854 without restraints) Performing minimization step: 1404. Total energy = 8273.0343 kcal/mol (8259.0839 without restraints) Performing minimization step: 1405. Total energy = 8266.6377 kcal/mol (8252.6915 without restraints) Performing minimization step: 1406. Total energy = 8260.2503 kcal/mol (8246.3083 without restraints) Performing minimization step: 1407. Total energy = 8253.8716 kcal/mol (8239.9338 without restraints) Performing minimization step: 1408. Total energy = 8247.5026 kcal/mol (8233.5689 without restraints) Performing minimization step: 1409. Total energy = 8241.1423 kcal/mol (8227.2128 without restraints) Performing minimization step: 1410. Total energy = 8234.7918 kcal/mol (8220.8667 without restraints) Performing minimization step: 1411. Total energy = 8228.4506 kcal/mol (8214.5296 without restraints) Performing minimization step: 1412. Total energy = 8222.1180 kcal/mol (8208.2012 without restraints) Performing minimization step: 1413. Total energy = 8215.7943 kcal/mol (8201.8817 without restraints) Performing minimization step: 1414. Total energy = 8209.4798 kcal/mol (8195.5713 without restraints) Performing minimization step: 1415. Total energy = 8203.1743 kcal/mol (8189.2700 without restraints) Performing minimization step: 1416. Total energy = 8196.8776 kcal/mol (8182.9774 without restraints) Performing minimization step: 1417. Total energy = 8190.5897 kcal/mol (8176.6938 without restraints) Performing minimization step: 1418. Total energy = 8184.3113 kcal/mol (8170.4195 without restraints) Performing minimization step: 1419. Total energy = 8178.0416 kcal/mol (8164.1539 without restraints) Performing minimization step: 1420. Total energy = 8171.7804 kcal/mol (8157.8969 without restraints) Performing minimization step: 1421. Total energy = 8165.5282 kcal/mol (8151.6488 without restraints) Performing minimization step: 1422. Total energy = 8159.2850 kcal/mol (8145.4098 without restraints) Performing minimization step: 1423. Total energy = 8153.0501 kcal/mol (8139.1789 without restraints) Performing minimization step: 1424. Total energy = 8146.8243 kcal/mol (8132.9572 without restraints) Performing minimization step: 1425. Total energy = 8140.6078 kcal/mol (8126.7450 without restraints) Performing minimization step: 1426. Total energy = 8134.4002 kcal/mol (8120.5413 without restraints) Performing minimization step: 1427. Total energy = 8128.2009 kcal/mol (8114.3462 without restraints) Performing minimization step: 1428. Total energy = 8122.0100 kcal/mol (8108.1594 without restraints) Performing minimization step: 1429. Total energy = 8115.8277 kcal/mol (8101.9812 without restraints) Performing minimization step: 1430. Total energy = 8109.6543 kcal/mol (8095.8119 without restraints) Performing minimization step: 1431. Total energy = 8103.4893 kcal/mol (8089.6508 without restraints) Performing minimization step: 1432. Total energy = 8097.3332 kcal/mol (8083.4988 without restraints) Performing minimization step: 1433. Total energy = 8091.1856 kcal/mol (8077.3554 without restraints) Performing minimization step: 1434. Total energy = 8085.0475 kcal/mol (8071.2215 without restraints) Performing minimization step: 1435. Total energy = 8078.9173 kcal/mol (8065.0953 without restraints) Performing minimization step: 1436. Total energy = 8072.7956 kcal/mol (8058.9776 without restraints) Performing minimization step: 1437. Total energy = 8066.6819 kcal/mol (8052.8679 without restraints) Performing minimization step: 1438. Total energy = 8060.5775 kcal/mol (8046.7675 without restraints) Performing minimization step: 1439. Total energy = 8054.4809 kcal/mol (8040.6748 without restraints) Performing minimization step: 1440. Total energy = 8048.3928 kcal/mol (8034.5909 without restraints) Performing minimization step: 1441. Total energy = 8042.3137 kcal/mol (8028.5159 without restraints) Performing minimization step: 1442. Total energy = 8036.2432 kcal/mol (8022.4494 without restraints) Performing minimization step: 1443. Total energy = 8030.1816 kcal/mol (8016.3919 without restraints) Performing minimization step: 1444. Total energy = 8024.1276 kcal/mol (8010.3417 without restraints) Performing minimization step: 1445. Total energy = 8018.0821 kcal/mol (8004.3004 without restraints) Performing minimization step: 1446. Total energy = 8012.0447 kcal/mol (7998.2670 without restraints) Performing minimization step: 1447. Total energy = 8006.0160 kcal/mol (7992.2424 without restraints) Performing minimization step: 1448. Total energy = 7999.9954 kcal/mol (7986.2257 without restraints) Performing minimization step: 1449. Total energy = 7993.9832 kcal/mol (7980.2175 without restraints) Performing minimization step: 1450. Total energy = 7987.9798 kcal/mol (7974.2181 without restraints) Performing minimization step: 1451. Total energy = 7981.9842 kcal/mol (7968.2264 without restraints) Performing minimization step: 1452. Total energy = 7975.9966 kcal/mol (7962.2429 without restraints) Performing minimization step: 1453. Total energy = 7970.0174 kcal/mol (7956.2677 without restraints) Performing minimization step: 1454. Total energy = 7964.0467 kcal/mol (7950.3009 without restraints) Performing minimization step: 1455. Total energy = 7958.0836 kcal/mol (7944.3417 without restraints) Performing minimization step: 1456. Total energy = 7952.1290 kcal/mol (7938.3911 without restraints) Performing minimization step: 1457. Total energy = 7946.1828 kcal/mol (7932.4488 without restraints) Performing minimization step: 1458. Total energy = 7940.2444 kcal/mol (7926.5146 without restraints) Performing minimization step: 1459. Total energy = 7934.3143 kcal/mol (7920.5883 without restraints) Performing minimization step: 1460. Total energy = 7928.3924 kcal/mol (7914.6704 without restraints) Performing minimization step: 1461. Total energy = 7922.4788 kcal/mol (7908.7608 without restraints) Performing minimization step: 1462. Total energy = 7916.5733 kcal/mol (7902.8592 without restraints) Performing minimization step: 1463. Total energy = 7910.6759 kcal/mol (7896.9658 without restraints) Performing minimization step: 1464. Total energy = 7904.7863 kcal/mol (7891.0801 without restraints) Performing minimization step: 1465. Total energy = 7898.9050 kcal/mol (7885.2026 without restraints) Performing minimization step: 1466. Total energy = 7893.0314 kcal/mol (7879.3330 without restraints) Performing minimization step: 1467. Total energy = 7887.1659 kcal/mol (7873.4716 without restraints) Performing minimization step: 1468. Total energy = 7881.3084 kcal/mol (7867.6177 without restraints) Performing minimization step: 1469. Total energy = 7875.4584 kcal/mol (7861.7717 without restraints) Performing minimization step: 1470. Total energy = 7869.6167 kcal/mol (7855.9340 without restraints) Performing minimization step: 1471. Total energy = 7863.7827 kcal/mol (7850.1039 without restraints) Performing minimization step: 1472. Total energy = 7857.9569 kcal/mol (7844.2819 without restraints) Performing minimization step: 1473. Total energy = 7852.1390 kcal/mol (7838.4680 without restraints) Performing minimization step: 1474. Total energy = 7846.3290 kcal/mol (7832.6618 without restraints) Performing minimization step: 1475. Total energy = 7840.5271 kcal/mol (7826.8638 without restraints) Performing minimization step: 1476. Total energy = 7834.7327 kcal/mol (7821.0733 without restraints) Performing minimization step: 1477. Total energy = 7828.9459 kcal/mol (7815.2904 without restraints) Performing minimization step: 1478. Total energy = 7823.1670 kcal/mol (7809.5154 without restraints) Performing minimization step: 1479. Total energy = 7817.3960 kcal/mol (7803.7483 without restraints) Performing minimization step: 1480. Total energy = 7811.6326 kcal/mol (7797.9887 without restraints) Performing minimization step: 1481. Total energy = 7805.8768 kcal/mol (7792.2366 without restraints) Performing minimization step: 1482. Total energy = 7800.1287 kcal/mol (7786.4926 without restraints) Performing minimization step: 1483. Total energy = 7794.3884 kcal/mol (7780.7561 without restraints) Performing minimization step: 1484. Total energy = 7788.6565 kcal/mol (7775.0281 without restraints) Performing minimization step: 1485. Total energy = 7782.9316 kcal/mol (7769.3071 without restraints) Performing minimization step: 1486. Total energy = 7777.2147 kcal/mol (7763.5939 without restraints) Performing minimization step: 1487. Total energy = 7771.5054 kcal/mol (7757.8885 without restraints) Performing minimization step: 1488. Total energy = 7765.8037 kcal/mol (7752.1907 without restraints) Performing minimization step: 1489. Total energy = 7760.1096 kcal/mol (7746.5006 without restraints) Performing minimization step: 1490. Total energy = 7754.4237 kcal/mol (7740.8184 without restraints) Performing minimization step: 1491. Total energy = 7748.7451 kcal/mol (7735.1436 without restraints) Performing minimization step: 1492. Total energy = 7743.0737 kcal/mol (7729.4759 without restraints) Performing minimization step: 1493. Total energy = 7737.4101 kcal/mol (7723.8163 without restraints) Performing minimization step: 1494. Total energy = 7731.7541 kcal/mol (7718.1641 without restraints) Performing minimization step: 1495. Total energy = 7726.1054 kcal/mol (7712.5190 without restraints) Performing minimization step: 1496. Total energy = 7720.4641 kcal/mol (7706.8817 without restraints) Performing minimization step: 1497. Total energy = 7714.8308 kcal/mol (7701.2521 without restraints) Performing minimization step: 1498. Total energy = 7709.2046 kcal/mol (7695.6298 without restraints) Performing minimization step: 1499. Total energy = 7703.5859 kcal/mol (7690.0149 without restraints) Performing minimization step: 1500. Total energy = 7697.9757 kcal/mol (7684.4085 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1501. Total energy = 7692.3722 kcal/mol (7678.8088 without restraints) Performing minimization step: 1502. Total energy = 7686.7760 kcal/mol (7673.2165 without restraints) Performing minimization step: 1503. Total energy = 7681.1868 kcal/mol (7667.6311 without restraints) Performing minimization step: 1504. Total energy = 7675.6058 kcal/mol (7662.0538 without restraints) Performing minimization step: 1505. Total energy = 7670.0316 kcal/mol (7656.4833 without restraints) Performing minimization step: 1506. Total energy = 7664.4650 kcal/mol (7650.9205 without restraints) Performing minimization step: 1507. Total energy = 7658.9056 kcal/mol (7645.3649 without restraints) Performing minimization step: 1508. Total energy = 7653.3530 kcal/mol (7639.8160 without restraints) Performing minimization step: 1509. Total energy = 7647.8081 kcal/mol (7634.2751 without restraints) Performing minimization step: 1510. Total energy = 7642.2705 kcal/mol (7628.7410 without restraints) Performing minimization step: 1511. Total energy = 7636.7397 kcal/mol (7623.2140 without restraints) Performing minimization step: 1512. Total energy = 7631.2164 kcal/mol (7617.6945 without restraints) Performing minimization step: 1513. Total energy = 7625.7004 kcal/mol (7612.1822 without restraints) Performing minimization step: 1514. Total energy = 7620.1918 kcal/mol (7606.6773 without restraints) Performing minimization step: 1515. Total energy = 7614.6902 kcal/mol (7601.1797 without restraints) Performing minimization step: 1516. Total energy = 7609.1957 kcal/mol (7595.6889 without restraints) Performing minimization step: 1517. Total energy = 7603.7087 kcal/mol (7590.2056 without restraints) Performing minimization step: 1518. Total energy = 7598.2290 kcal/mol (7584.7296 without restraints) Performing minimization step: 1519. Total energy = 7592.7566 kcal/mol (7579.2611 without restraints) Performing minimization step: 1520. Total energy = 7587.2912 kcal/mol (7573.7993 without restraints) Performing minimization step: 1521. Total energy = 7581.8336 kcal/mol (7568.3455 without restraints) Performing minimization step: 1522. Total energy = 7576.3827 kcal/mol (7562.8982 without restraints) Performing minimization step: 1523. Total energy = 7570.9388 kcal/mol (7557.4584 without restraints) Performing minimization step: 1524. Total energy = 7565.5020 kcal/mol (7552.0250 without restraints) Performing minimization step: 1525. Total energy = 7560.0722 kcal/mol (7546.5989 without restraints) Performing minimization step: 1526. Total energy = 7554.6492 kcal/mol (7541.1797 without restraints) Performing minimization step: 1527. Total energy = 7549.2333 kcal/mol (7535.7674 without restraints) Performing minimization step: 1528. Total energy = 7543.8247 kcal/mol (7530.3626 without restraints) Performing minimization step: 1529. Total energy = 7538.4229 kcal/mol (7524.9645 without restraints) Performing minimization step: 1530. Total energy = 7533.0285 kcal/mol (7519.5739 without restraints) Performing minimization step: 1531. Total energy = 7527.6407 kcal/mol (7514.1898 without restraints) Performing minimization step: 1532. Total energy = 7522.2596 kcal/mol (7508.8123 without restraints) Performing minimization step: 1533. Total energy = 7516.8852 kcal/mol (7503.4416 without restraints) Performing minimization step: 1534. Total energy = 7511.5180 kcal/mol (7498.0781 without restraints) Performing minimization step: 1535. Total energy = 7506.1577 kcal/mol (7492.7215 without restraints) Performing minimization step: 1536. Total energy = 7500.8045 kcal/mol (7487.3718 without restraints) Performing minimization step: 1537. Total energy = 7495.4582 kcal/mol (7482.0295 without restraints) Performing minimization step: 1538. Total energy = 7490.1191 kcal/mol (7476.6939 without restraints) Performing minimization step: 1539. Total energy = 7484.7865 kcal/mol (7471.3650 without restraints) Performing minimization step: 1540. Total energy = 7479.4609 kcal/mol (7466.0431 without restraints) Performing minimization step: 1541. Total energy = 7474.1423 kcal/mol (7460.7283 without restraints) Performing minimization step: 1542. Total energy = 7468.8305 kcal/mol (7455.4200 without restraints) Performing minimization step: 1543. Total energy = 7463.5252 kcal/mol (7450.1186 without restraints) Performing minimization step: 1544. Total energy = 7458.2268 kcal/mol (7444.8237 without restraints) Performing minimization step: 1545. Total energy = 7452.9352 kcal/mol (7439.5358 without restraints) Performing minimization step: 1546. Total energy = 7447.6504 kcal/mol (7434.2547 without restraints) Performing minimization step: 1547. Total energy = 7442.3726 kcal/mol (7428.9805 without restraints) Performing minimization step: 1548. Total energy = 7437.1014 kcal/mol (7423.7129 without restraints) Performing minimization step: 1549. Total energy = 7431.8368 kcal/mol (7418.4520 without restraints) Performing minimization step: 1550. Total energy = 7426.5789 kcal/mol (7413.1977 without restraints) Performing minimization step: 1551. Total energy = 7421.3274 kcal/mol (7407.9500 without restraints) Performing minimization step: 1552. Total energy = 7416.0829 kcal/mol (7402.7091 without restraints) Performing minimization step: 1553. Total energy = 7410.8452 kcal/mol (7397.4750 without restraints) Performing minimization step: 1554. Total energy = 7405.6142 kcal/mol (7392.2477 without restraints) Performing minimization step: 1555. Total energy = 7400.3898 kcal/mol (7387.0270 without restraints) Performing minimization step: 1556. Total energy = 7395.1731 kcal/mol (7381.8139 without restraints) Performing minimization step: 1557. Total energy = 7389.9619 kcal/mol (7376.6063 without restraints) Performing minimization step: 1558. Total energy = 7384.7574 kcal/mol (7371.4054 without restraints) Performing minimization step: 1559. Total energy = 7379.5600 kcal/mol (7366.2120 without restraints) Performing minimization step: 1560. Total energy = 7374.3690 kcal/mol (7361.0243 without restraints) Performing minimization step: 1561. Total energy = 7369.1847 kcal/mol (7355.8436 without restraints) Performing minimization step: 1562. Total energy = 7364.0066 kcal/mol (7350.6691 without restraints) Performing minimization step: 1563. Total energy = 7358.8349 kcal/mol (7345.5011 without restraints) Performing minimization step: 1564. Total energy = 7353.6701 kcal/mol (7340.3399 without restraints) Performing minimization step: 1565. Total energy = 7348.5116 kcal/mol (7335.1850 without restraints) Performing minimization step: 1566. Total energy = 7343.3596 kcal/mol (7330.0367 without restraints) Performing minimization step: 1567. Total energy = 7338.2146 kcal/mol (7324.8955 without restraints) Performing minimization step: 1568. Total energy = 7333.0759 kcal/mol (7319.7601 without restraints) Performing minimization step: 1569. Total energy = 7327.9435 kcal/mol (7314.6313 without restraints) Performing minimization step: 1570. Total energy = 7322.8174 kcal/mol (7309.5089 without restraints) Performing minimization step: 1571. Total energy = 7317.6974 kcal/mol (7304.3925 without restraints) Performing minimization step: 1572. Total energy = 7312.5842 kcal/mol (7299.2829 without restraints) Performing minimization step: 1573. Total energy = 7307.4774 kcal/mol (7294.1797 without restraints) Performing minimization step: 1574. Total energy = 7302.3775 kcal/mol (7289.0834 without restraints) Performing minimization step: 1575. Total energy = 7297.2841 kcal/mol (7283.9935 without restraints) Performing minimization step: 1576. Total energy = 7292.1965 kcal/mol (7278.9095 without restraints) Performing minimization step: 1577. Total energy = 7287.1153 kcal/mol (7273.8320 without restraints) Performing minimization step: 1578. Total energy = 7282.0405 kcal/mol (7268.7608 without restraints) Performing minimization step: 1579. Total energy = 7276.9719 kcal/mol (7263.6955 without restraints) Performing minimization step: 1580. Total energy = 7271.9097 kcal/mol (7258.6371 without restraints) Performing minimization step: 1581. Total energy = 7266.8539 kcal/mol (7253.5849 without restraints) Performing minimization step: 1582. Total energy = 7261.8045 kcal/mol (7248.5391 without restraints) Performing minimization step: 1583. Total energy = 7256.7610 kcal/mol (7243.4991 without restraints) Performing minimization step: 1584. Total energy = 7251.7240 kcal/mol (7238.4657 without restraints) Performing minimization step: 1585. Total energy = 7246.6934 kcal/mol (7233.4387 without restraints) Performing minimization step: 1586. Total energy = 7241.6690 kcal/mol (7228.4179 without restraints) Performing minimization step: 1587. Total energy = 7236.6510 kcal/mol (7223.4034 without restraints) Performing minimization step: 1588. Total energy = 7231.6389 kcal/mol (7218.3949 without restraints) Performing minimization step: 1589. Total energy = 7226.6336 kcal/mol (7213.3932 without restraints) Performing minimization step: 1590. Total energy = 7221.6344 kcal/mol (7208.3977 without restraints) Performing minimization step: 1591. Total energy = 7216.6417 kcal/mol (7203.4084 without restraints) Performing minimization step: 1592. Total energy = 7211.6547 kcal/mol (7198.4250 without restraints) Performing minimization step: 1593. Total energy = 7206.6739 kcal/mol (7193.4476 without restraints) Performing minimization step: 1594. Total energy = 7201.6988 kcal/mol (7188.4762 without restraints) Performing minimization step: 1595. Total energy = 7196.7306 kcal/mol (7183.5117 without restraints) Performing minimization step: 1596. Total energy = 7191.7683 kcal/mol (7178.5529 without restraints) Performing minimization step: 1597. Total energy = 7186.8124 kcal/mol (7173.6006 without restraints) Performing minimization step: 1598. Total energy = 7181.8624 kcal/mol (7168.6540 without restraints) Performing minimization step: 1599. Total energy = 7176.9184 kcal/mol (7163.7135 without restraints) Performing minimization step: 1600. Total energy = 7171.9805 kcal/mol (7158.7792 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1601. Total energy = 7167.0493 kcal/mol (7153.8516 without restraints) Performing minimization step: 1602. Total energy = 7162.1242 kcal/mol (7148.9300 without restraints) Performing minimization step: 1603. Total energy = 7157.2049 kcal/mol (7144.0143 without restraints) Performing minimization step: 1604. Total energy = 7152.2919 kcal/mol (7139.1048 without restraints) Performing minimization step: 1605. Total energy = 7147.3847 kcal/mol (7134.2012 without restraints) Performing minimization step: 1606. Total energy = 7142.4835 kcal/mol (7129.3034 without restraints) Performing minimization step: 1607. Total energy = 7137.5882 kcal/mol (7124.4117 without restraints) Performing minimization step: 1608. Total energy = 7132.6990 kcal/mol (7119.5260 without restraints) Performing minimization step: 1609. Total energy = 7127.8159 kcal/mol (7114.6465 without restraints) Performing minimization step: 1610. Total energy = 7122.9387 kcal/mol (7109.7728 without restraints) Performing minimization step: 1611. Total energy = 7118.0676 kcal/mol (7104.9053 without restraints) Performing minimization step: 1612. Total energy = 7113.2025 kcal/mol (7100.0437 without restraints) Performing minimization step: 1613. Total energy = 7108.3430 kcal/mol (7095.1877 without restraints) Performing minimization step: 1614. Total energy = 7103.4897 kcal/mol (7090.3379 without restraints) Performing minimization step: 1615. Total energy = 7098.6423 kcal/mol (7085.4940 without restraints) Performing minimization step: 1616. Total energy = 7093.8006 kcal/mol (7080.6558 without restraints) Performing minimization step: 1617. Total energy = 7088.9653 kcal/mol (7075.8241 without restraints) Performing minimization step: 1618. Total energy = 7084.1359 kcal/mol (7070.9984 without restraints) Performing minimization step: 1619. Total energy = 7079.3125 kcal/mol (7066.1783 without restraints) Performing minimization step: 1620. Total energy = 7074.4946 kcal/mol (7061.3639 without restraints) Performing minimization step: 1621. Total energy = 7069.6829 kcal/mol (7056.5559 without restraints) Performing minimization step: 1622. Total energy = 7064.8770 kcal/mol (7051.7533 without restraints) Performing minimization step: 1623. Total energy = 7060.0768 kcal/mol (7046.9566 without restraints) Performing minimization step: 1624. Total energy = 7055.2825 kcal/mol (7042.1658 without restraints) Performing minimization step: 1625. Total energy = 7050.4948 kcal/mol (7037.3816 without restraints) Performing minimization step: 1626. Total energy = 7045.7115 kcal/mol (7032.6016 without restraints) Performing minimization step: 1627. Total energy = 7040.9345 kcal/mol (7027.8283 without restraints) Performing minimization step: 1628. Total energy = 7036.1633 kcal/mol (7023.0607 without restraints) Performing minimization step: 1629. Total energy = 7031.3980 kcal/mol (7018.2988 without restraints) Performing minimization step: 1630. Total energy = 7026.6386 kcal/mol (7013.5429 without restraints) Performing minimization step: 1631. Total energy = 7021.8852 kcal/mol (7008.7930 without restraints) Performing minimization step: 1632. Total energy = 7017.1371 kcal/mol (7004.0484 without restraints) Performing minimization step: 1633. Total energy = 7012.3949 kcal/mol (6999.3097 without restraints) Performing minimization step: 1634. Total energy = 7007.6586 kcal/mol (6994.5769 without restraints) Performing minimization step: 1635. Total energy = 7002.9278 kcal/mol (6989.8496 without restraints) Performing minimization step: 1636. Total energy = 6998.2028 kcal/mol (6985.1283 without restraints) Performing minimization step: 1637. Total energy = 6993.4834 kcal/mol (6980.4121 without restraints) Performing minimization step: 1638. Total energy = 6988.7703 kcal/mol (6975.7025 without restraints) Performing minimization step: 1639. Total energy = 6984.0623 kcal/mol (6970.9980 without restraints) Performing minimization step: 1640. Total energy = 6979.3600 kcal/mol (6966.2992 without restraints) Performing minimization step: 1641. Total energy = 6974.6635 kcal/mol (6961.6063 without restraints) Performing minimization step: 1642. Total energy = 6969.9727 kcal/mol (6956.9189 without restraints) Performing minimization step: 1643. Total energy = 6965.2875 kcal/mol (6952.2371 without restraints) Performing minimization step: 1644. Total energy = 6960.6078 kcal/mol (6947.5609 without restraints) Performing minimization step: 1645. Total energy = 6955.9339 kcal/mol (6942.8905 without restraints) Performing minimization step: 1646. Total energy = 6951.2660 kcal/mol (6938.2262 without restraints) Performing minimization step: 1647. Total energy = 6946.6033 kcal/mol (6933.5668 without restraints) Performing minimization step: 1648. Total energy = 6941.9463 kcal/mol (6928.9133 without restraints) Performing minimization step: 1649. Total energy = 6937.2944 kcal/mol (6924.2649 without restraints) Performing minimization step: 1650. Total energy = 6932.6475 kcal/mol (6919.6214 without restraints) Performing minimization step: 1651. Total energy = 6928.0073 kcal/mol (6914.9848 without restraints) Performing minimization step: 1652. Total energy = 6923.3721 kcal/mol (6910.3529 without restraints) Performing minimization step: 1653. Total energy = 6918.7428 kcal/mol (6905.7271 without restraints) Performing minimization step: 1654. Total energy = 6914.1193 kcal/mol (6901.1071 without restraints) Performing minimization step: 1655. Total energy = 6909.5010 kcal/mol (6896.4922 without restraints) Performing minimization step: 1656. Total energy = 6904.8882 kcal/mol (6891.8829 without restraints) Performing minimization step: 1657. Total energy = 6900.2808 kcal/mol (6887.2791 without restraints) Performing minimization step: 1658. Total energy = 6895.6792 kcal/mol (6882.6808 without restraints) Performing minimization step: 1659. Total energy = 6891.0829 kcal/mol (6878.0880 without restraints) Performing minimization step: 1660. Total energy = 6886.4920 kcal/mol (6873.5005 without restraints) Performing minimization step: 1661. Total energy = 6881.9064 kcal/mol (6868.9185 without restraints) Performing minimization step: 1662. Total energy = 6877.3267 kcal/mol (6864.3421 without restraints) Performing minimization step: 1663. Total energy = 6872.7521 kcal/mol (6859.7709 without restraints) Performing minimization step: 1664. Total energy = 6868.1831 kcal/mol (6855.2054 without restraints) Performing minimization step: 1665. Total energy = 6863.6196 kcal/mol (6850.6454 without restraints) Performing minimization step: 1666. Total energy = 6859.0615 kcal/mol (6846.0907 without restraints) Performing minimization step: 1667. Total energy = 6854.5089 kcal/mol (6841.5416 without restraints) Performing minimization step: 1668. Total energy = 6849.9617 kcal/mol (6836.9978 without restraints) Performing minimization step: 1669. Total energy = 6845.4199 kcal/mol (6832.4594 without restraints) Performing minimization step: 1670. Total energy = 6840.8835 kcal/mol (6827.9266 without restraints) Performing minimization step: 1671. Total energy = 6836.3526 kcal/mol (6823.3990 without restraints) Performing minimization step: 1672. Total energy = 6831.8271 kcal/mol (6818.8771 without restraints) Performing minimization step: 1673. Total energy = 6827.3071 kcal/mol (6814.3604 without restraints) Performing minimization step: 1674. Total energy = 6822.7922 kcal/mol (6809.8489 without restraints) Performing minimization step: 1675. Total energy = 6818.2828 kcal/mol (6805.3431 without restraints) Performing minimization step: 1676. Total energy = 6813.7785 kcal/mol (6800.8420 without restraints) Performing minimization step: 1677. Total energy = 6809.2792 kcal/mol (6796.3463 without restraints) Performing minimization step: 1678. Total energy = 6804.7857 kcal/mol (6791.8562 without restraints) Performing minimization step: 1679. Total energy = 6800.2972 kcal/mol (6787.3711 without restraints) Performing minimization step: 1680. Total energy = 6795.8142 kcal/mol (6782.8915 without restraints) Performing minimization step: 1681. Total energy = 6791.3369 kcal/mol (6778.4177 without restraints) Performing minimization step: 1682. Total energy = 6786.8644 kcal/mol (6773.9486 without restraints) Performing minimization step: 1683. Total energy = 6782.3973 kcal/mol (6769.4849 without restraints) Performing minimization step: 1684. Total energy = 6777.9357 kcal/mol (6765.0267 without restraints) Performing minimization step: 1685. Total energy = 6773.4791 kcal/mol (6760.5736 without restraints) Performing minimization step: 1686. Total energy = 6769.0278 kcal/mol (6756.1257 without restraints) Performing minimization step: 1687. Total energy = 6764.5818 kcal/mol (6751.6831 without restraints) Performing minimization step: 1688. Total energy = 6760.1407 kcal/mol (6747.2454 without restraints) Performing minimization step: 1689. Total energy = 6755.7051 kcal/mol (6742.8132 without restraints) Performing minimization step: 1690. Total energy = 6751.2746 kcal/mol (6738.3862 without restraints) Performing minimization step: 1691. Total energy = 6746.8490 kcal/mol (6733.9639 without restraints) Performing minimization step: 1692. Total energy = 6742.4289 kcal/mol (6729.5473 without restraints) Performing minimization step: 1693. Total energy = 6738.0137 kcal/mol (6725.1354 without restraints) Performing minimization step: 1694. Total energy = 6733.6042 kcal/mol (6720.7294 without restraints) Performing minimization step: 1695. Total energy = 6729.1997 kcal/mol (6716.3283 without restraints) Performing minimization step: 1696. Total energy = 6724.8005 kcal/mol (6711.9325 without restraints) Performing minimization step: 1697. Total energy = 6720.4071 kcal/mol (6707.5425 without restraints) Performing minimization step: 1698. Total energy = 6716.0177 kcal/mol (6703.1564 without restraints) Performing minimization step: 1699. Total energy = 6711.6335 kcal/mol (6698.7758 without restraints) Performing minimization step: 1700. Total energy = 6707.2545 kcal/mol (6694.4002 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1701. Total energy = 6702.8809 kcal/mol (6690.0299 without restraints) Performing minimization step: 1702. Total energy = 6698.5120 kcal/mol (6685.6646 without restraints) Performing minimization step: 1703. Total energy = 6694.1488 kcal/mol (6681.3047 without restraints) Performing minimization step: 1704. Total energy = 6689.7904 kcal/mol (6676.9497 without restraints) Performing minimization step: 1705. Total energy = 6685.4371 kcal/mol (6672.5999 without restraints) Performing minimization step: 1706. Total energy = 6681.0891 kcal/mol (6668.2552 without restraints) Performing minimization step: 1707. Total energy = 6676.7460 kcal/mol (6663.9155 without restraints) Performing minimization step: 1708. Total energy = 6672.4081 kcal/mol (6659.5810 without restraints) Performing minimization step: 1709. Total energy = 6668.0751 kcal/mol (6655.2513 without restraints) Performing minimization step: 1710. Total energy = 6663.7467 kcal/mol (6650.9264 without restraints) Performing minimization step: 1711. Total energy = 6659.4233 kcal/mol (6646.6062 without restraints) Performing minimization step: 1712. Total energy = 6655.1052 kcal/mol (6642.2916 without restraints) Performing minimization step: 1713. Total energy = 6650.7924 kcal/mol (6637.9823 without restraints) Performing minimization step: 1714. Total energy = 6646.4845 kcal/mol (6633.6777 without restraints) Performing minimization step: 1715. Total energy = 6642.1818 kcal/mol (6629.3784 without restraints) Performing minimization step: 1716. Total energy = 6637.8839 kcal/mol (6625.0839 without restraints) Performing minimization step: 1717. Total energy = 6633.5909 kcal/mol (6620.7941 without restraints) Performing minimization step: 1718. Total energy = 6629.3025 kcal/mol (6616.5093 without restraints) Performing minimization step: 1719. Total energy = 6625.0192 kcal/mol (6612.2295 without restraints) Performing minimization step: 1720. Total energy = 6620.7412 kcal/mol (6607.9548 without restraints) Performing minimization step: 1721. Total energy = 6616.4680 kcal/mol (6603.6850 without restraints) Performing minimization step: 1722. Total energy = 6612.2001 kcal/mol (6599.4204 without restraints) Performing minimization step: 1723. Total energy = 6607.9371 kcal/mol (6595.1608 without restraints) Performing minimization step: 1724. Total energy = 6603.6787 kcal/mol (6590.9059 without restraints) Performing minimization step: 1725. Total energy = 6599.4254 kcal/mol (6586.6559 without restraints) Performing minimization step: 1726. Total energy = 6595.1773 kcal/mol (6582.4112 without restraints) Performing minimization step: 1727. Total energy = 6590.9340 kcal/mol (6578.1713 without restraints) Performing minimization step: 1728. Total energy = 6586.6952 kcal/mol (6573.9358 without restraints) Performing minimization step: 1729. Total energy = 6582.4609 kcal/mol (6569.7048 without restraints) Performing minimization step: 1730. Total energy = 6578.2316 kcal/mol (6565.4790 without restraints) Performing minimization step: 1731. Total energy = 6574.0073 kcal/mol (6561.2580 without restraints) Performing minimization step: 1732. Total energy = 6569.7884 kcal/mol (6557.0425 without restraints) Performing minimization step: 1733. Total energy = 6565.5743 kcal/mol (6552.8319 without restraints) Performing minimization step: 1734. Total energy = 6561.3648 kcal/mol (6548.6257 without restraints) Performing minimization step: 1735. Total energy = 6557.1600 kcal/mol (6544.4242 without restraints) Performing minimization step: 1736. Total energy = 6552.9602 kcal/mol (6540.2279 without restraints) Performing minimization step: 1737. Total energy = 6548.7653 kcal/mol (6536.0363 without restraints) Performing minimization step: 1738. Total energy = 6544.5750 kcal/mol (6531.8494 without restraints) Performing minimization step: 1739. Total energy = 6540.3904 kcal/mol (6527.6682 without restraints) Performing minimization step: 1740. Total energy = 6536.2099 kcal/mol (6523.4910 without restraints) Performing minimization step: 1741. Total energy = 6532.0340 kcal/mol (6519.3185 without restraints) Performing minimization step: 1742. Total energy = 6527.8631 kcal/mol (6515.1509 without restraints) Performing minimization step: 1743. Total energy = 6523.6968 kcal/mol (6510.9880 without restraints) Performing minimization step: 1744. Total energy = 6519.5355 kcal/mol (6506.8301 without restraints) Performing minimization step: 1745. Total energy = 6515.3790 kcal/mol (6502.6768 without restraints) Performing minimization step: 1746. Total energy = 6511.2266 kcal/mol (6498.5279 without restraints) Performing minimization step: 1747. Total energy = 6507.0794 kcal/mol (6494.3841 without restraints) Performing minimization step: 1748. Total energy = 6502.9373 kcal/mol (6490.2455 without restraints) Performing minimization step: 1749. Total energy = 6498.7998 kcal/mol (6486.1112 without restraints) Performing minimization step: 1750. Total energy = 6494.6672 kcal/mol (6481.9820 without restraints) Performing minimization step: 1751. Total energy = 6490.5399 kcal/mol (6477.8580 without restraints) Performing minimization step: 1752. Total energy = 6486.4162 kcal/mol (6473.7376 without restraints) Performing minimization step: 1753. Total energy = 6482.2976 kcal/mol (6469.6225 without restraints) Performing minimization step: 1754. Total energy = 6478.1838 kcal/mol (6465.5121 without restraints) Performing minimization step: 1755. Total energy = 6474.0746 kcal/mol (6461.4062 without restraints) Performing minimization step: 1756. Total energy = 6469.9700 kcal/mol (6457.3048 without restraints) Performing minimization step: 1757. Total energy = 6465.8700 kcal/mol (6453.2082 without restraints) Performing minimization step: 1758. Total energy = 6461.7749 kcal/mol (6449.1165 without restraints) Performing minimization step: 1759. Total energy = 6457.6843 kcal/mol (6445.0291 without restraints) Performing minimization step: 1760. Total energy = 6453.5985 kcal/mol (6440.9467 without restraints) Performing minimization step: 1761. Total energy = 6449.5172 kcal/mol (6436.8690 without restraints) Performing minimization step: 1762. Total energy = 6445.4408 kcal/mol (6432.7958 without restraints) Performing minimization step: 1763. Total energy = 6441.3688 kcal/mol (6428.7272 without restraints) Performing minimization step: 1764. Total energy = 6437.3016 kcal/mol (6424.6633 without restraints) Performing minimization step: 1765. Total energy = 6433.2393 kcal/mol (6420.6043 without restraints) Performing minimization step: 1766. Total energy = 6429.1811 kcal/mol (6416.5494 without restraints) Performing minimization step: 1767. Total energy = 6425.1276 kcal/mol (6412.4992 without restraints) Performing minimization step: 1768. Total energy = 6421.0787 kcal/mol (6408.4538 without restraints) Performing minimization step: 1769. Total energy = 6417.0345 kcal/mol (6404.4129 without restraints) Performing minimization step: 1770. Total energy = 6412.9946 kcal/mol (6400.3764 without restraints) Performing minimization step: 1771. Total energy = 6408.9594 kcal/mol (6396.3445 without restraints) Performing minimization step: 1772. Total energy = 6404.9287 kcal/mol (6392.3172 without restraints) Performing minimization step: 1773. Total energy = 6400.9028 kcal/mol (6388.2946 without restraints) Performing minimization step: 1774. Total energy = 6396.8810 kcal/mol (6384.2760 without restraints) Performing minimization step: 1775. Total energy = 6392.8639 kcal/mol (6380.2623 without restraints) Performing minimization step: 1776. Total energy = 6388.8512 kcal/mol (6376.2530 without restraints) Performing minimization step: 1777. Total energy = 6384.8436 kcal/mol (6372.2487 without restraints) Performing minimization step: 1778. Total energy = 6380.8403 kcal/mol (6368.2487 without restraints) Performing minimization step: 1779. Total energy = 6376.8415 kcal/mol (6364.2534 without restraints) Performing minimization step: 1780. Total energy = 6372.8475 kcal/mol (6360.2626 without restraints) Performing minimization step: 1781. Total energy = 6368.8576 kcal/mol (6356.2759 without restraints) Performing minimization step: 1782. Total energy = 6364.8718 kcal/mol (6352.2936 without restraints) Performing minimization step: 1783. Total energy = 6360.8914 kcal/mol (6348.3165 without restraints) Performing minimization step: 1784. Total energy = 6356.9151 kcal/mol (6344.3437 without restraints) Performing minimization step: 1785. Total energy = 6352.9437 kcal/mol (6340.3755 without restraints) Performing minimization step: 1786. Total energy = 6348.9761 kcal/mol (6336.4112 without restraints) Performing minimization step: 1787. Total energy = 6345.0132 kcal/mol (6332.4517 without restraints) Performing minimization step: 1788. Total energy = 6341.0548 kcal/mol (6328.4966 without restraints) Performing minimization step: 1789. Total energy = 6337.1008 kcal/mol (6324.5459 without restraints) Performing minimization step: 1790. Total energy = 6333.1509 kcal/mol (6320.5994 without restraints) Performing minimization step: 1791. Total energy = 6329.2058 kcal/mol (6316.6576 without restraints) Performing minimization step: 1792. Total energy = 6325.2650 kcal/mol (6312.7201 without restraints) Performing minimization step: 1793. Total energy = 6321.3285 kcal/mol (6308.7869 without restraints) Performing minimization step: 1794. Total energy = 6317.3966 kcal/mol (6304.8584 without restraints) Performing minimization step: 1795. Total energy = 6313.4689 kcal/mol (6300.9340 without restraints) Performing minimization step: 1796. Total energy = 6309.5460 kcal/mol (6297.0144 without restraints) Performing minimization step: 1797. Total energy = 6305.6277 kcal/mol (6293.0994 without restraints) Performing minimization step: 1798. Total energy = 6301.7135 kcal/mol (6289.1885 without restraints) Performing minimization step: 1799. Total energy = 6297.8034 kcal/mol (6285.2818 without restraints) Performing minimization step: 1800. Total energy = 6293.8981 kcal/mol (6281.3798 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1801. Total energy = 6289.9971 kcal/mol (6277.4821 without restraints) Performing minimization step: 1802. Total energy = 6286.1004 kcal/mol (6273.5887 without restraints) Performing minimization step: 1803. Total energy = 6282.2087 kcal/mol (6269.7006 without restraints) Performing minimization step: 1804. Total energy = 6278.3210 kcal/mol (6265.8160 without restraints) Performing minimization step: 1805. Total energy = 6274.4377 kcal/mol (6261.9360 without restraints) Performing minimization step: 1806. Total energy = 6270.5592 kcal/mol (6258.0608 without restraints) Performing minimization step: 1807. Total energy = 6266.6845 kcal/mol (6254.1895 without restraints) Performing minimization step: 1808. Total energy = 6262.8141 kcal/mol (6250.3223 without restraints) Performing minimization step: 1809. Total energy = 6258.9471 kcal/mol (6246.4586 without restraints) Performing minimization step: 1810. Total energy = 6255.0850 kcal/mol (6242.5999 without restraints) Performing minimization step: 1811. Total energy = 6251.2272 kcal/mol (6238.7454 without restraints) Performing minimization step: 1812. Total energy = 6247.3738 kcal/mol (6234.8952 without restraints) Performing minimization step: 1813. Total energy = 6243.5248 kcal/mol (6231.0496 without restraints) Performing minimization step: 1814. Total energy = 6239.6807 kcal/mol (6227.2089 without restraints) Performing minimization step: 1815. Total energy = 6235.8409 kcal/mol (6223.3724 without restraints) Performing minimization step: 1816. Total energy = 6232.0045 kcal/mol (6219.5393 without restraints) Performing minimization step: 1817. Total energy = 6228.1728 kcal/mol (6215.7109 without restraints) Performing minimization step: 1818. Total energy = 6224.3451 kcal/mol (6211.8864 without restraints) Performing minimization step: 1819. Total energy = 6220.5215 kcal/mol (6208.0662 without restraints) Performing minimization step: 1820. Total energy = 6216.7022 kcal/mol (6204.2502 without restraints) Performing minimization step: 1821. Total energy = 6212.8869 kcal/mol (6200.4382 without restraints) Performing minimization step: 1822. Total energy = 6209.0759 kcal/mol (6196.6305 without restraints) Performing minimization step: 1823. Total energy = 6205.2699 kcal/mol (6192.8279 without restraints) Performing minimization step: 1824. Total energy = 6201.4676 kcal/mol (6189.0288 without restraints) Performing minimization step: 1825. Total energy = 6197.6695 kcal/mol (6185.2339 without restraints) Performing minimization step: 1826. Total energy = 6193.8757 kcal/mol (6181.4435 without restraints) Performing minimization step: 1827. Total energy = 6190.0856 kcal/mol (6177.6567 without restraints) Performing minimization step: 1828. Total energy = 6186.3002 kcal/mol (6173.8747 without restraints) Performing minimization step: 1829. Total energy = 6182.5194 kcal/mol (6170.0972 without restraints) Performing minimization step: 1830. Total energy = 6178.7424 kcal/mol (6166.3234 without restraints) Performing minimization step: 1831. Total energy = 6174.9697 kcal/mol (6162.5540 without restraints) Performing minimization step: 1832. Total energy = 6171.2009 kcal/mol (6158.7885 without restraints) Performing minimization step: 1833. Total energy = 6167.4364 kcal/mol (6155.0274 without restraints) Performing minimization step: 1834. Total energy = 6163.6762 kcal/mol (6151.2704 without restraints) Performing minimization step: 1835. Total energy = 6159.9199 kcal/mol (6147.5174 without restraints) Performing minimization step: 1836. Total energy = 6156.1680 kcal/mol (6143.7688 without restraints) Performing minimization step: 1837. Total energy = 6152.4199 kcal/mol (6140.0240 without restraints) Performing minimization step: 1838. Total energy = 6148.6762 kcal/mol (6136.2835 without restraints) Performing minimization step: 1839. Total energy = 6144.9369 kcal/mol (6132.5476 without restraints) Performing minimization step: 1840. Total energy = 6141.2011 kcal/mol (6128.8150 without restraints) Performing minimization step: 1841. Total energy = 6137.4696 kcal/mol (6125.0869 without restraints) Performing minimization step: 1842. Total energy = 6133.7427 kcal/mol (6121.3632 without restraints) Performing minimization step: 1843. Total energy = 6130.0193 kcal/mol (6117.6431 without restraints) Performing minimization step: 1844. Total energy = 6126.3001 kcal/mol (6113.9273 without restraints) Performing minimization step: 1845. Total energy = 6122.5851 kcal/mol (6110.2155 without restraints) Performing minimization step: 1846. Total energy = 6118.8741 kcal/mol (6106.5078 without restraints) Performing minimization step: 1847. Total energy = 6115.1663 kcal/mol (6102.8033 without restraints) Performing minimization step: 1848. Total energy = 6111.4634 kcal/mol (6099.1037 without restraints) Performing minimization step: 1849. Total energy = 6107.7646 kcal/mol (6095.4081 without restraints) Performing minimization step: 1850. Total energy = 6104.0698 kcal/mol (6091.7167 without restraints) Performing minimization step: 1851. Total energy = 6100.3792 kcal/mol (6088.0292 without restraints) Performing minimization step: 1852. Total energy = 6096.6929 kcal/mol (6084.3463 without restraints) Performing minimization step: 1853. Total energy = 6093.0104 kcal/mol (6080.6671 without restraints) Performing minimization step: 1854. Total energy = 6089.3318 kcal/mol (6076.9918 without restraints) Performing minimization step: 1855. Total energy = 6085.6577 kcal/mol (6073.3210 without restraints) Performing minimization step: 1856. Total energy = 6081.9872 kcal/mol (6069.6537 without restraints) Performing minimization step: 1857. Total energy = 6078.3209 kcal/mol (6065.9907 without restraints) Performing minimization step: 1858. Total energy = 6074.6587 kcal/mol (6062.3319 without restraints) Performing minimization step: 1859. Total energy = 6071.0002 kcal/mol (6058.6767 without restraints) Performing minimization step: 1860. Total energy = 6067.3460 kcal/mol (6055.0256 without restraints) Performing minimization step: 1861. Total energy = 6063.6953 kcal/mol (6051.3782 without restraints) Performing minimization step: 1862. Total energy = 6060.0487 kcal/mol (6047.7350 without restraints) Performing minimization step: 1863. Total energy = 6056.4067 kcal/mol (6044.0963 without restraints) Performing minimization step: 1864. Total energy = 6052.7685 kcal/mol (6040.4615 without restraints) Performing minimization step: 1865. Total energy = 6049.1342 kcal/mol (6036.8303 without restraints) Performing minimization step: 1866. Total energy = 6045.5038 kcal/mol (6033.2032 without restraints) Performing minimization step: 1867. Total energy = 6041.8772 kcal/mol (6029.5799 without restraints) Performing minimization step: 1868. Total energy = 6038.2548 kcal/mol (6025.9608 without restraints) Performing minimization step: 1869. Total energy = 6034.6362 kcal/mol (6022.3454 without restraints) Performing minimization step: 1870. Total energy = 6031.0217 kcal/mol (6018.7342 without restraints) Performing minimization step: 1871. Total energy = 6027.4112 kcal/mol (6015.1270 without restraints) Performing minimization step: 1872. Total energy = 6023.8049 kcal/mol (6011.5240 without restraints) Performing minimization step: 1873. Total energy = 6020.2019 kcal/mol (6007.9241 without restraints) Performing minimization step: 1874. Total energy = 6016.6029 kcal/mol (6004.3285 without restraints) Performing minimization step: 1875. Total energy = 6013.0081 kcal/mol (6000.7369 without restraints) Performing minimization step: 1876. Total energy = 6009.4168 kcal/mol (5997.1490 without restraints) Performing minimization step: 1877. Total energy = 6005.8298 kcal/mol (5993.5652 without restraints) Performing minimization step: 1878. Total energy = 6002.2465 kcal/mol (5989.9852 without restraints) Performing minimization step: 1879. Total energy = 5998.6674 kcal/mol (5986.4094 without restraints) Performing minimization step: 1880. Total energy = 5995.0921 kcal/mol (5982.8374 without restraints) Performing minimization step: 1881. Total energy = 5991.5208 kcal/mol (5979.2693 without restraints) Performing minimization step: 1882. Total energy = 5987.9532 kcal/mol (5975.7051 without restraints) Performing minimization step: 1883. Total energy = 5984.3893 kcal/mol (5972.1443 without restraints) Performing minimization step: 1884. Total energy = 5980.8294 kcal/mol (5968.5877 without restraints) Performing minimization step: 1885. Total energy = 5977.2734 kcal/mol (5965.0351 without restraints) Performing minimization step: 1886. Total energy = 5973.7215 kcal/mol (5961.4863 without restraints) Performing minimization step: 1887. Total energy = 5970.1732 kcal/mol (5957.9413 without restraints) Performing minimization step: 1888. Total energy = 5966.6287 kcal/mol (5954.4000 without restraints) Performing minimization step: 1889. Total energy = 5963.0883 kcal/mol (5950.8629 without restraints) Performing minimization step: 1890. Total energy = 5959.5512 kcal/mol (5947.3291 without restraints) Performing minimization step: 1891. Total energy = 5956.0185 kcal/mol (5943.7998 without restraints) Performing minimization step: 1892. Total energy = 5952.4896 kcal/mol (5940.2742 without restraints) Performing minimization step: 1893. Total energy = 5948.9645 kcal/mol (5936.7522 without restraints) Performing minimization step: 1894. Total energy = 5945.4435 kcal/mol (5933.2344 without restraints) Performing minimization step: 1895. Total energy = 5941.9262 kcal/mol (5929.7204 without restraints) Performing minimization step: 1896. Total energy = 5938.4121 kcal/mol (5926.2095 without restraints) Performing minimization step: 1897. Total energy = 5934.9019 kcal/mol (5922.7025 without restraints) Performing minimization step: 1898. Total energy = 5931.3950 kcal/mol (5919.1990 without restraints) Performing minimization step: 1899. Total energy = 5927.8920 kcal/mol (5915.6991 without restraints) Performing minimization step: 1900. Total energy = 5924.3931 kcal/mol (5912.2037 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 1901. Total energy = 5920.8982 kcal/mol (5908.7119 without restraints) Performing minimization step: 1902. Total energy = 5917.4066 kcal/mol (5905.2234 without restraints) Performing minimization step: 1903. Total energy = 5913.9195 kcal/mol (5901.7397 without restraints) Performing minimization step: 1904. Total energy = 5910.4362 kcal/mol (5898.2599 without restraints) Performing minimization step: 1905. Total energy = 5906.9565 kcal/mol (5894.7832 without restraints) Performing minimization step: 1906. Total energy = 5903.4803 kcal/mol (5891.3103 without restraints) Performing minimization step: 1907. Total energy = 5900.0080 kcal/mol (5887.8413 without restraints) Performing minimization step: 1908. Total energy = 5896.5393 kcal/mol (5884.3759 without restraints) Performing minimization step: 1909. Total energy = 5893.0745 kcal/mol (5880.9144 without restraints) Performing minimization step: 1910. Total energy = 5889.6132 kcal/mol (5877.4561 without restraints) Performing minimization step: 1911. Total energy = 5886.1555 kcal/mol (5874.0018 without restraints) Performing minimization step: 1912. Total energy = 5882.7017 kcal/mol (5870.5512 without restraints) Performing minimization step: 1913. Total energy = 5879.2518 kcal/mol (5867.1048 without restraints) Performing minimization step: 1914. Total energy = 5875.8056 kcal/mol (5863.6617 without restraints) Performing minimization step: 1915. Total energy = 5872.3629 kcal/mol (5860.2222 without restraints) Performing minimization step: 1916. Total energy = 5868.9234 kcal/mol (5856.7859 without restraints) Performing minimization step: 1917. Total energy = 5865.4882 kcal/mol (5853.3540 without restraints) Performing minimization step: 1918. Total energy = 5862.0564 kcal/mol (5849.9254 without restraints) Performing minimization step: 1919. Total energy = 5858.6289 kcal/mol (5846.5011 without restraints) Performing minimization step: 1920. Total energy = 5855.2046 kcal/mol (5843.0801 without restraints) Performing minimization step: 1921. Total energy = 5851.7845 kcal/mol (5839.6632 without restraints) Performing minimization step: 1922. Total energy = 5848.3678 kcal/mol (5836.2498 without restraints) Performing minimization step: 1923. Total energy = 5844.9545 kcal/mol (5832.8397 without restraints) Performing minimization step: 1924. Total energy = 5841.5448 kcal/mol (5829.4333 without restraints) Performing minimization step: 1925. Total energy = 5838.1388 kcal/mol (5826.0305 without restraints) Performing minimization step: 1926. Total energy = 5834.7373 kcal/mol (5822.6323 without restraints) Performing minimization step: 1927. Total energy = 5831.3383 kcal/mol (5819.2365 without restraints) Performing minimization step: 1928. Total energy = 5827.9426 kcal/mol (5815.8440 without restraints) Performing minimization step: 1929. Total energy = 5824.5511 kcal/mol (5812.4558 without restraints) Performing minimization step: 1930. Total energy = 5821.1630 kcal/mol (5809.0710 without restraints) Performing minimization step: 1931. Total energy = 5817.7791 kcal/mol (5805.6904 without restraints) Performing minimization step: 1932. Total energy = 5814.3989 kcal/mol (5802.3133 without restraints) Performing minimization step: 1933. Total energy = 5811.0220 kcal/mol (5798.9396 without restraints) Performing minimization step: 1934. Total energy = 5807.6486 kcal/mol (5795.5695 without restraints) Performing minimization step: 1935. Total energy = 5804.2786 kcal/mol (5792.2027 without restraints) Performing minimization step: 1936. Total energy = 5800.9129 kcal/mol (5788.8403 without restraints) Performing minimization step: 1937. Total energy = 5797.5503 kcal/mol (5785.4809 without restraints) Performing minimization step: 1938. Total energy = 5794.1915 kcal/mol (5782.1253 without restraints) Performing minimization step: 1939. Total energy = 5790.8356 kcal/mol (5778.7728 without restraints) Performing minimization step: 1940. Total energy = 5787.4839 kcal/mol (5775.4242 without restraints) Performing minimization step: 1941. Total energy = 5784.1357 kcal/mol (5772.0793 without restraints) Performing minimization step: 1942. Total energy = 5780.7912 kcal/mol (5768.7382 without restraints) Performing minimization step: 1943. Total energy = 5777.4504 kcal/mol (5765.4004 without restraints) Performing minimization step: 1944. Total energy = 5774.1130 kcal/mol (5762.0661 without restraints) Performing minimization step: 1945. Total energy = 5770.7784 kcal/mol (5758.7348 without restraints) Performing minimization step: 1946. Total energy = 5767.4480 kcal/mol (5755.4077 without restraints) Performing minimization step: 1947. Total energy = 5764.1208 kcal/mol (5752.0837 without restraints) Performing minimization step: 1948. Total energy = 5760.7977 kcal/mol (5748.7639 without restraints) Performing minimization step: 1949. Total energy = 5757.4788 kcal/mol (5745.4482 without restraints) Performing minimization step: 1950. Total energy = 5754.1624 kcal/mol (5742.1350 without restraints) Performing minimization step: 1951. Total energy = 5750.8492 kcal/mol (5738.8251 without restraints) Performing minimization step: 1952. Total energy = 5747.5398 kcal/mol (5735.5188 without restraints) Performing minimization step: 1953. Total energy = 5744.2339 kcal/mol (5732.2162 without restraints) Performing minimization step: 1954. Total energy = 5740.9314 kcal/mol (5728.9169 without restraints) Performing minimization step: 1955. Total energy = 5737.6326 kcal/mol (5725.6214 without restraints) Performing minimization step: 1956. Total energy = 5734.3370 kcal/mol (5722.3290 without restraints) Performing minimization step: 1957. Total energy = 5731.0453 kcal/mol (5719.0405 without restraints) Performing minimization step: 1958. Total energy = 5727.7563 kcal/mol (5715.7547 without restraints) Performing minimization step: 1959. Total energy = 5724.4720 kcal/mol (5712.4736 without restraints) Performing minimization step: 1960. Total energy = 5721.1908 kcal/mol (5709.1958 without restraints) Performing minimization step: 1961. Total energy = 5717.9131 kcal/mol (5705.9211 without restraints) Performing minimization step: 1962. Total energy = 5714.6386 kcal/mol (5702.6500 without restraints) Performing minimization step: 1963. Total energy = 5711.3673 kcal/mol (5699.3819 without restraints) Performing minimization step: 1964. Total energy = 5708.1002 kcal/mol (5696.1179 without restraints) Performing minimization step: 1965. Total energy = 5704.8356 kcal/mol (5692.8565 without restraints) Performing minimization step: 1966. Total energy = 5701.5748 kcal/mol (5689.5990 without restraints) Performing minimization step: 1967. Total energy = 5698.3175 kcal/mol (5686.3449 without restraints) Performing minimization step: 1968. Total energy = 5695.0637 kcal/mol (5683.0943 without restraints) Performing minimization step: 1969. Total energy = 5691.8132 kcal/mol (5679.8471 without restraints) Performing minimization step: 1970. Total energy = 5688.5661 kcal/mol (5676.6032 without restraints) Performing minimization step: 1971. Total energy = 5685.3227 kcal/mol (5673.3629 without restraints) Performing minimization step: 1972. Total energy = 5682.0820 kcal/mol (5670.1255 without restraints) Performing minimization step: 1973. Total energy = 5678.8453 kcal/mol (5666.8920 without restraints) Performing minimization step: 1974. Total energy = 5675.6118 kcal/mol (5663.6617 without restraints) Performing minimization step: 1975. Total energy = 5672.3820 kcal/mol (5660.4351 without restraints) Performing minimization step: 1976. Total energy = 5669.1553 kcal/mol (5657.2117 without restraints) Performing minimization step: 1977. Total energy = 5665.9319 kcal/mol (5653.9915 without restraints) Performing minimization step: 1978. Total energy = 5662.7121 kcal/mol (5650.7749 without restraints) Performing minimization step: 1979. Total energy = 5659.4960 kcal/mol (5647.5620 without restraints) Performing minimization step: 1980. Total energy = 5656.2832 kcal/mol (5644.3525 without restraints) Performing minimization step: 1981. Total energy = 5653.0735 kcal/mol (5641.1459 without restraints) Performing minimization step: 1982. Total energy = 5649.8674 kcal/mol (5637.9430 without restraints) Performing minimization step: 1983. Total energy = 5646.6650 kcal/mol (5634.7438 without restraints) Performing minimization step: 1984. Total energy = 5643.4655 kcal/mol (5631.5475 without restraints) Performing minimization step: 1985. Total energy = 5640.2695 kcal/mol (5628.3547 without restraints) Performing minimization step: 1986. Total energy = 5637.0766 kcal/mol (5625.1650 without restraints) Performing minimization step: 1987. Total energy = 5633.8870 kcal/mol (5621.9787 without restraints) Performing minimization step: 1988. Total energy = 5630.7012 kcal/mol (5618.7961 without restraints) Performing minimization step: 1989. Total energy = 5627.5185 kcal/mol (5615.6166 without restraints) Performing minimization step: 1990. Total energy = 5624.3389 kcal/mol (5612.4401 without restraints) Performing minimization step: 1991. Total energy = 5621.1628 kcal/mol (5609.2673 without restraints) Performing minimization step: 1992. Total energy = 5617.9897 kcal/mol (5606.0973 without restraints) Performing minimization step: 1993. Total energy = 5614.8203 kcal/mol (5602.9312 without restraints) Performing minimization step: 1994. Total energy = 5611.6542 kcal/mol (5599.7681 without restraints) Performing minimization step: 1995. Total energy = 5608.4912 kcal/mol (5596.6085 without restraints) Performing minimization step: 1996. Total energy = 5605.3316 kcal/mol (5593.4521 without restraints) Performing minimization step: 1997. Total energy = 5602.1755 kcal/mol (5590.2991 without restraints) Performing minimization step: 1998. Total energy = 5599.0222 kcal/mol (5587.1490 without restraints) Performing minimization step: 1999. Total energy = 5595.8726 kcal/mol (5584.0028 without restraints) Performing minimization step: 2000. Total energy = 5592.7263 kcal/mol (5580.8595 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2001. Total energy = 5589.5828 kcal/mol (5577.7193 without restraints) Performing minimization step: 2002. Total energy = 5586.4429 kcal/mol (5574.5825 without restraints) Performing minimization step: 2003. Total energy = 5583.3064 kcal/mol (5571.4492 without restraints) Performing minimization step: 2004. Total energy = 5580.1730 kcal/mol (5568.3190 without restraints) Performing minimization step: 2005. Total energy = 5577.0428 kcal/mol (5565.1920 without restraints) Performing minimization step: 2006. Total energy = 5573.9161 kcal/mol (5562.0685 without restraints) Performing minimization step: 2007. Total energy = 5570.7931 kcal/mol (5558.9487 without restraints) Performing minimization step: 2008. Total energy = 5567.6728 kcal/mol (5555.8318 without restraints) Performing minimization step: 2009. Total energy = 5564.5559 kcal/mol (5552.7180 without restraints) Performing minimization step: 2010. Total energy = 5561.4423 kcal/mol (5549.6075 without restraints) Performing minimization step: 2011. Total energy = 5558.3318 kcal/mol (5546.5002 without restraints) Performing minimization step: 2012. Total energy = 5555.2247 kcal/mol (5543.3964 without restraints) Performing minimization step: 2013. Total energy = 5552.1205 kcal/mol (5540.2953 without restraints) Performing minimization step: 2014. Total energy = 5549.0192 kcal/mol (5537.1970 without restraints) Performing minimization step: 2015. Total energy = 5545.9215 kcal/mol (5534.1028 without restraints) Performing minimization step: 2016. Total energy = 5542.8268 kcal/mol (5531.0112 without restraints) Performing minimization step: 2017. Total energy = 5539.7354 kcal/mol (5527.9229 without restraints) Performing minimization step: 2018. Total energy = 5536.6470 kcal/mol (5524.8377 without restraints) Performing minimization step: 2019. Total energy = 5533.5621 kcal/mol (5521.7562 without restraints) Performing minimization step: 2020. Total energy = 5530.4805 kcal/mol (5518.6776 without restraints) Performing minimization step: 2021. Total energy = 5527.4021 kcal/mol (5515.6023 without restraints) Performing minimization step: 2022. Total energy = 5524.3269 kcal/mol (5512.5304 without restraints) Performing minimization step: 2023. Total energy = 5521.2545 kcal/mol (5509.4612 without restraints) Performing minimization step: 2024. Total energy = 5518.1855 kcal/mol (5506.3953 without restraints) Performing minimization step: 2025. Total energy = 5515.1198 kcal/mol (5503.3328 without restraints) Performing minimization step: 2026. Total energy = 5512.0574 kcal/mol (5500.2736 without restraints) Performing minimization step: 2027. Total energy = 5508.9979 kcal/mol (5497.2173 without restraints) Performing minimization step: 2028. Total energy = 5505.9413 kcal/mol (5494.1638 without restraints) Performing minimization step: 2029. Total energy = 5502.8880 kcal/mol (5491.1137 without restraints) Performing minimization step: 2030. Total energy = 5499.8382 kcal/mol (5488.0670 without restraints) Performing minimization step: 2031. Total energy = 5496.7912 kcal/mol (5485.0233 without restraints) Performing minimization step: 2032. Total energy = 5493.7475 kcal/mol (5481.9828 without restraints) Performing minimization step: 2033. Total energy = 5490.7070 kcal/mol (5478.9454 without restraints) Performing minimization step: 2034. Total energy = 5487.6693 kcal/mol (5475.9109 without restraints) Performing minimization step: 2035. Total energy = 5484.6348 kcal/mol (5472.8795 without restraints) Performing minimization step: 2036. Total energy = 5481.6034 kcal/mol (5469.8514 without restraints) Performing minimization step: 2037. Total energy = 5478.5752 kcal/mol (5466.8264 without restraints) Performing minimization step: 2038. Total energy = 5475.5502 kcal/mol (5463.8046 without restraints) Performing minimization step: 2039. Total energy = 5472.5282 kcal/mol (5460.7856 without restraints) Performing minimization step: 2040. Total energy = 5469.5093 kcal/mol (5457.7700 without restraints) Performing minimization step: 2041. Total energy = 5466.4936 kcal/mol (5454.7575 without restraints) Performing minimization step: 2042. Total energy = 5463.4813 kcal/mol (5451.7483 without restraints) Performing minimization step: 2043. Total energy = 5460.4715 kcal/mol (5448.7416 without restraints) Performing minimization step: 2044. Total energy = 5457.4648 kcal/mol (5445.7382 without restraints) Performing minimization step: 2045. Total energy = 5454.4616 kcal/mol (5442.7381 without restraints) Performing minimization step: 2046. Total energy = 5451.4614 kcal/mol (5439.7412 without restraints) Performing minimization step: 2047. Total energy = 5448.4643 kcal/mol (5436.7472 without restraints) Performing minimization step: 2048. Total energy = 5445.4701 kcal/mol (5433.7561 without restraints) Performing minimization step: 2049. Total energy = 5442.4791 kcal/mol (5430.7683 without restraints) Performing minimization step: 2050. Total energy = 5439.4910 kcal/mol (5427.7834 without restraints) Performing minimization step: 2051. Total energy = 5436.5064 kcal/mol (5424.8020 without restraints) Performing minimization step: 2052. Total energy = 5433.5247 kcal/mol (5421.8234 without restraints) Performing minimization step: 2053. Total energy = 5430.5461 kcal/mol (5418.8480 without restraints) Performing minimization step: 2054. Total energy = 5427.5707 kcal/mol (5415.8757 without restraints) Performing minimization step: 2055. Total energy = 5424.5984 kcal/mol (5412.9066 without restraints) Performing minimization step: 2056. Total energy = 5421.6296 kcal/mol (5409.9409 without restraints) Performing minimization step: 2057. Total energy = 5418.6630 kcal/mol (5406.9775 without restraints) Performing minimization step: 2058. Total energy = 5415.6999 kcal/mol (5404.0176 without restraints) Performing minimization step: 2059. Total energy = 5412.7396 kcal/mol (5401.0605 without restraints) Performing minimization step: 2060. Total energy = 5409.7823 kcal/mol (5398.1064 without restraints) Performing minimization step: 2061. Total energy = 5406.8278 kcal/mol (5395.1549 without restraints) Performing minimization step: 2062. Total energy = 5403.8763 kcal/mol (5392.2067 without restraints) Performing minimization step: 2063. Total energy = 5400.9277 kcal/mol (5389.2612 without restraints) Performing minimization step: 2064. Total energy = 5397.9820 kcal/mol (5386.3187 without restraints) Performing minimization step: 2065. Total energy = 5395.0401 kcal/mol (5383.3800 without restraints) Performing minimization step: 2066. Total energy = 5392.1003 kcal/mol (5380.4433 without restraints) Performing minimization step: 2067. Total energy = 5389.1642 kcal/mol (5377.5103 without restraints) Performing minimization step: 2068. Total energy = 5386.2304 kcal/mol (5374.5797 without restraints) Performing minimization step: 2069. Total energy = 5383.2999 kcal/mol (5371.6522 without restraints) Performing minimization step: 2070. Total energy = 5380.3722 kcal/mol (5368.7278 without restraints) Performing minimization step: 2071. Total energy = 5377.4478 kcal/mol (5365.8066 without restraints) Performing minimization step: 2072. Total energy = 5374.5264 kcal/mol (5362.8884 without restraints) Performing minimization step: 2073. Total energy = 5371.6079 kcal/mol (5359.9729 without restraints) Performing minimization step: 2074. Total energy = 5368.6924 kcal/mol (5357.0606 without restraints) Performing minimization step: 2075. Total energy = 5365.7798 kcal/mol (5354.1512 without restraints) Performing minimization step: 2076. Total energy = 5362.8700 kcal/mol (5351.2444 without restraints) Performing minimization step: 2077. Total energy = 5359.9633 kcal/mol (5348.3410 without restraints) Performing minimization step: 2078. Total energy = 5357.0598 kcal/mol (5345.4406 without restraints) Performing minimization step: 2079. Total energy = 5354.1594 kcal/mol (5342.5433 without restraints) Performing minimization step: 2080. Total energy = 5351.2614 kcal/mol (5339.6485 without restraints) Performing minimization step: 2081. Total energy = 5348.3664 kcal/mol (5336.7565 without restraints) Performing minimization step: 2082. Total energy = 5345.4746 kcal/mol (5333.8681 without restraints) Performing minimization step: 2083. Total energy = 5342.5857 kcal/mol (5330.9822 without restraints) Performing minimization step: 2084. Total energy = 5339.6998 kcal/mol (5328.0995 without restraints) Performing minimization step: 2085. Total energy = 5336.8169 kcal/mol (5325.2197 without restraints) Performing minimization step: 2086. Total energy = 5333.9369 kcal/mol (5322.3431 without restraints) Performing minimization step: 2087. Total energy = 5331.0597 kcal/mol (5319.4689 without restraints) Performing minimization step: 2088. Total energy = 5328.1856 kcal/mol (5316.5980 without restraints) Performing minimization step: 2089. Total energy = 5325.3137 kcal/mol (5313.7291 without restraints) Performing minimization step: 2090. Total energy = 5322.4456 kcal/mol (5310.8642 without restraints) Performing minimization step: 2091. Total energy = 5319.5797 kcal/mol (5308.0013 without restraints) Performing minimization step: 2092. Total energy = 5316.7172 kcal/mol (5305.1420 without restraints) Performing minimization step: 2093. Total energy = 5313.8571 kcal/mol (5302.2851 without restraints) Performing minimization step: 2094. Total energy = 5311.0000 kcal/mol (5299.4311 without restraints) Performing minimization step: 2095. Total energy = 5308.1462 kcal/mol (5296.5803 without restraints) Performing minimization step: 2096. Total energy = 5305.2948 kcal/mol (5293.7322 without restraints) Performing minimization step: 2097. Total energy = 5302.4463 kcal/mol (5290.8869 without restraints) Performing minimization step: 2098. Total energy = 5299.6011 kcal/mol (5288.0448 without restraints) Performing minimization step: 2099. Total energy = 5296.7588 kcal/mol (5285.2056 without restraints) Performing minimization step: 2100. Total energy = 5293.9192 kcal/mol (5282.3691 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2101. Total energy = 5291.0825 kcal/mol (5279.5355 without restraints) Performing minimization step: 2102. Total energy = 5288.2488 kcal/mol (5276.7050 without restraints) Performing minimization step: 2103. Total energy = 5285.4178 kcal/mol (5273.8771 without restraints) Performing minimization step: 2104. Total energy = 5282.5898 kcal/mol (5271.0522 without restraints) Performing minimization step: 2105. Total energy = 5279.7644 kcal/mol (5268.2300 without restraints) Performing minimization step: 2106. Total energy = 5276.9419 kcal/mol (5265.4106 without restraints) Performing minimization step: 2107. Total energy = 5274.1224 kcal/mol (5262.5943 without restraints) Performing minimization step: 2108. Total energy = 5271.3056 kcal/mol (5259.7806 without restraints) Performing minimization step: 2109. Total energy = 5268.4917 kcal/mol (5256.9698 without restraints) Performing minimization step: 2110. Total energy = 5265.6810 kcal/mol (5254.1622 without restraints) Performing minimization step: 2111. Total energy = 5262.8728 kcal/mol (5251.3572 without restraints) Performing minimization step: 2112. Total energy = 5260.0674 kcal/mol (5248.5549 without restraints) Performing minimization step: 2113. Total energy = 5257.2645 kcal/mol (5245.7550 without restraints) Performing minimization step: 2114. Total energy = 5254.4649 kcal/mol (5242.9586 without restraints) Performing minimization step: 2115. Total energy = 5251.6682 kcal/mol (5240.1654 without restraints) Performing minimization step: 2116. Total energy = 5248.8742 kcal/mol (5237.3743 without restraints) Performing minimization step: 2117. Total energy = 5246.0823 kcal/mol (5234.5854 without restraints) Performing minimization step: 2118. Total energy = 5243.2937 kcal/mol (5231.7999 without restraints) Performing minimization step: 2119. Total energy = 5240.5078 kcal/mol (5229.0172 without restraints) Performing minimization step: 2120. Total energy = 5237.7248 kcal/mol (5226.2373 without restraints) Performing minimization step: 2121. Total energy = 5234.9445 kcal/mol (5223.4601 without restraints) Performing minimization step: 2122. Total energy = 5232.1671 kcal/mol (5220.6858 without restraints) Performing minimization step: 2123. Total energy = 5229.3927 kcal/mol (5217.9145 without restraints) Performing minimization step: 2124. Total energy = 5226.6210 kcal/mol (5215.1460 without restraints) Performing minimization step: 2125. Total energy = 5223.8519 kcal/mol (5212.3800 without restraints) Performing minimization step: 2126. Total energy = 5221.0854 kcal/mol (5209.6166 without restraints) Performing minimization step: 2127. Total energy = 5218.3218 kcal/mol (5206.8561 without restraints) Performing minimization step: 2128. Total energy = 5215.5606 kcal/mol (5204.0980 without restraints) Performing minimization step: 2129. Total energy = 5212.8027 kcal/mol (5201.3432 without restraints) Performing minimization step: 2130. Total energy = 5210.0473 kcal/mol (5198.5910 without restraints) Performing minimization step: 2131. Total energy = 5207.2947 kcal/mol (5195.8414 without restraints) Performing minimization step: 2132. Total energy = 5204.5449 kcal/mol (5193.0948 without restraints) Performing minimization step: 2133. Total energy = 5201.7977 kcal/mol (5190.3506 without restraints) Performing minimization step: 2134. Total energy = 5199.0534 kcal/mol (5187.6095 without restraints) Performing minimization step: 2135. Total energy = 5196.3123 kcal/mol (5184.8715 without restraints) Performing minimization step: 2136. Total energy = 5193.5735 kcal/mol (5182.1358 without restraints) Performing minimization step: 2137. Total energy = 5190.8375 kcal/mol (5179.4029 without restraints) Performing minimization step: 2138. Total energy = 5188.1045 kcal/mol (5176.6730 without restraints) Performing minimization step: 2139. Total energy = 5185.3741 kcal/mol (5173.9457 without restraints) Performing minimization step: 2140. Total energy = 5182.6462 kcal/mol (5171.2209 without restraints) Performing minimization step: 2141. Total energy = 5179.9213 kcal/mol (5168.4993 without restraints) Performing minimization step: 2142. Total energy = 5177.1988 kcal/mol (5165.7796 without restraints) Performing minimization step: 2143. Total energy = 5174.4790 kcal/mol (5163.0630 without restraints) Performing minimization step: 2144. Total energy = 5171.7620 kcal/mol (5160.3491 without restraints) Performing minimization step: 2145. Total energy = 5169.0479 kcal/mol (5157.6381 without restraints) Performing minimization step: 2146. Total energy = 5166.3360 kcal/mol (5154.9293 without restraints) Performing minimization step: 2147. Total energy = 5163.6265 kcal/mol (5152.2229 without restraints) Performing minimization step: 2148. Total energy = 5160.9205 kcal/mol (5149.5201 without restraints) Performing minimization step: 2149. Total energy = 5158.2171 kcal/mol (5146.8198 without restraints) Performing minimization step: 2150. Total energy = 5155.5167 kcal/mol (5144.1225 without restraints) Performing minimization step: 2151. Total energy = 5152.8186 kcal/mol (5141.4275 without restraints) Performing minimization step: 2152. Total energy = 5150.1232 kcal/mol (5138.7352 without restraints) Performing minimization step: 2153. Total energy = 5147.4305 kcal/mol (5136.0456 without restraints) Performing minimization step: 2154. Total energy = 5144.7404 kcal/mol (5133.3586 without restraints) Performing minimization step: 2155. Total energy = 5142.0530 kcal/mol (5130.6743 without restraints) Performing minimization step: 2156. Total energy = 5139.3683 kcal/mol (5127.9927 without restraints) Performing minimization step: 2157. Total energy = 5136.6865 kcal/mol (5125.3139 without restraints) Performing minimization step: 2158. Total energy = 5134.0071 kcal/mol (5122.6376 without restraints) Performing minimization step: 2159. Total energy = 5131.3309 kcal/mol (5119.9645 without restraints) Performing minimization step: 2160. Total energy = 5128.6572 kcal/mol (5117.2939 without restraints) Performing minimization step: 2161. Total energy = 5125.9861 kcal/mol (5114.6261 without restraints) Performing minimization step: 2162. Total energy = 5123.3179 kcal/mol (5111.9608 without restraints) Performing minimization step: 2163. Total energy = 5120.6510 kcal/mol (5109.2970 without restraints) Performing minimization step: 2164. Total energy = 5117.9874 kcal/mol (5106.6365 without restraints) Performing minimization step: 2165. Total energy = 5115.3261 kcal/mol (5103.9784 without restraints) Performing minimization step: 2166. Total energy = 5112.6679 kcal/mol (5101.3232 without restraints) Performing minimization step: 2167. Total energy = 5110.0120 kcal/mol (5098.6704 without restraints) Performing minimization step: 2168. Total energy = 5107.3593 kcal/mol (5096.0208 without restraints) Performing minimization step: 2169. Total energy = 5104.7089 kcal/mol (5093.3735 without restraints) Performing minimization step: 2170. Total energy = 5102.0612 kcal/mol (5090.7288 without restraints) Performing minimization step: 2171. Total energy = 5099.4158 kcal/mol (5088.0864 without restraints) Performing minimization step: 2172. Total energy = 5096.7737 kcal/mol (5085.4475 without restraints) Performing minimization step: 2173. Total energy = 5094.1339 kcal/mol (5082.8108 without restraints) Performing minimization step: 2174. Total energy = 5091.4964 kcal/mol (5080.1763 without restraints) Performing minimization step: 2175. Total energy = 5088.8617 kcal/mol (5077.5448 without restraints) Performing minimization step: 2176. Total energy = 5086.2304 kcal/mol (5074.9166 without restraints) Performing minimization step: 2177. Total energy = 5083.6010 kcal/mol (5072.2902 without restraints) Performing minimization step: 2178. Total energy = 5080.9740 kcal/mol (5069.6662 without restraints) Performing minimization step: 2179. Total energy = 5078.3497 kcal/mol (5067.0450 without restraints) Performing minimization step: 2180. Total energy = 5075.7283 kcal/mol (5064.4269 without restraints) Performing minimization step: 2181. Total energy = 5073.1097 kcal/mol (5061.8113 without restraints) Performing minimization step: 2182. Total energy = 5070.4934 kcal/mol (5059.1980 without restraints) Performing minimization step: 2183. Total energy = 5067.8791 kcal/mol (5056.5868 without restraints) Performing minimization step: 2184. Total energy = 5065.2678 kcal/mol (5053.9786 without restraints) Performing minimization step: 2185. Total energy = 5062.6589 kcal/mol (5051.3727 without restraints) Performing minimization step: 2186. Total energy = 5060.0530 kcal/mol (5048.7698 without restraints) Performing minimization step: 2187. Total energy = 5057.4493 kcal/mol (5046.1694 without restraints) Performing minimization step: 2188. Total energy = 5054.8484 kcal/mol (5043.5714 without restraints) Performing minimization step: 2189. Total energy = 5052.2500 kcal/mol (5040.9761 without restraints) Performing minimization step: 2190. Total energy = 5049.6541 kcal/mol (5038.3833 without restraints) Performing minimization step: 2191. Total energy = 5047.0607 kcal/mol (5035.7930 without restraints) Performing minimization step: 2192. Total energy = 5044.4698 kcal/mol (5033.2053 without restraints) Performing minimization step: 2193. Total energy = 5041.8814 kcal/mol (5030.6199 without restraints) Performing minimization step: 2194. Total energy = 5039.2959 kcal/mol (5028.0373 without restraints) Performing minimization step: 2195. Total energy = 5036.7127 kcal/mol (5025.4572 without restraints) Performing minimization step: 2196. Total energy = 5034.1323 kcal/mol (5022.8800 without restraints) Performing minimization step: 2197. Total energy = 5031.5543 kcal/mol (5020.3050 without restraints) Performing minimization step: 2198. Total energy = 5028.9785 kcal/mol (5017.7322 without restraints) Performing minimization step: 2199. Total energy = 5026.4054 kcal/mol (5015.1622 without restraints) Performing minimization step: 2200. Total energy = 5023.8351 kcal/mol (5012.5951 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2201. Total energy = 5021.2673 kcal/mol (5010.0302 without restraints) Performing minimization step: 2202. Total energy = 5018.7018 kcal/mol (5007.4677 without restraints) Performing minimization step: 2203. Total energy = 5016.1390 kcal/mol (5004.9081 without restraints) Performing minimization step: 2204. Total energy = 5013.5792 kcal/mol (5002.3513 without restraints) Performing minimization step: 2205. Total energy = 5011.0213 kcal/mol (4999.7964 without restraints) Performing minimization step: 2206. Total energy = 5008.4658 kcal/mol (4997.2441 without restraints) Performing minimization step: 2207. Total energy = 5005.9127 kcal/mol (4994.6940 without restraints) Performing minimization step: 2208. Total energy = 5003.3621 kcal/mol (4992.1463 without restraints) Performing minimization step: 2209. Total energy = 5000.8140 kcal/mol (4989.6013 without restraints) Performing minimization step: 2210. Total energy = 4998.2687 kcal/mol (4987.0592 without restraints) Performing minimization step: 2211. Total energy = 4995.7254 kcal/mol (4984.5190 without restraints) Performing minimization step: 2212. Total energy = 4993.1853 kcal/mol (4981.9819 without restraints) Performing minimization step: 2213. Total energy = 4990.6474 kcal/mol (4979.4470 without restraints) Performing minimization step: 2214. Total energy = 4988.1122 kcal/mol (4976.9150 without restraints) Performing minimization step: 2215. Total energy = 4985.5793 kcal/mol (4974.3850 without restraints) Performing minimization step: 2216. Total energy = 4983.0489 kcal/mol (4971.8576 without restraints) Performing minimization step: 2217. Total energy = 4980.5208 kcal/mol (4969.3327 without restraints) Performing minimization step: 2218. Total energy = 4977.9957 kcal/mol (4966.8106 without restraints) Performing minimization step: 2219. Total energy = 4975.4723 kcal/mol (4964.2902 without restraints) Performing minimization step: 2220. Total energy = 4972.9517 kcal/mol (4961.7726 without restraints) Performing minimization step: 2221. Total energy = 4970.4338 kcal/mol (4959.2579 without restraints) Performing minimization step: 2222. Total energy = 4967.9183 kcal/mol (4956.7452 without restraints) Performing minimization step: 2223. Total energy = 4965.4051 kcal/mol (4954.2353 without restraints) Performing minimization step: 2224. Total energy = 4962.8941 kcal/mol (4951.7273 without restraints) Performing minimization step: 2225. Total energy = 4960.3857 kcal/mol (4949.2219 without restraints) Performing minimization step: 2226. Total energy = 4957.8802 kcal/mol (4946.7194 without restraints) Performing minimization step: 2227. Total energy = 4955.3767 kcal/mol (4944.2190 without restraints) Performing minimization step: 2228. Total energy = 4952.8756 kcal/mol (4941.7208 without restraints) Performing minimization step: 2229. Total energy = 4950.3770 kcal/mol (4939.2254 without restraints) Performing minimization step: 2230. Total energy = 4947.8814 kcal/mol (4936.7328 without restraints) Performing minimization step: 2231. Total energy = 4945.3877 kcal/mol (4934.2421 without restraints) Performing minimization step: 2232. Total energy = 4942.8962 kcal/mol (4931.7538 without restraints) Performing minimization step: 2233. Total energy = 4940.4077 kcal/mol (4929.2683 without restraints) Performing minimization step: 2234. Total energy = 4937.9213 kcal/mol (4926.7849 without restraints) Performing minimization step: 2235. Total energy = 4935.4369 kcal/mol (4924.3035 without restraints) Performing minimization step: 2236. Total energy = 4932.9554 kcal/mol (4921.8251 without restraints) Performing minimization step: 2237. Total energy = 4930.4774 kcal/mol (4919.3500 without restraints) Performing minimization step: 2238. Total energy = 4928.0009 kcal/mol (4916.8767 without restraints) Performing minimization step: 2239. Total energy = 4925.5268 kcal/mol (4914.4057 without restraints) Performing minimization step: 2240. Total energy = 4923.0550 kcal/mol (4911.9368 without restraints) Performing minimization step: 2241. Total energy = 4920.5855 kcal/mol (4909.4702 without restraints) Performing minimization step: 2242. Total energy = 4918.1176 kcal/mol (4907.0053 without restraints) Performing minimization step: 2243. Total energy = 4915.6529 kcal/mol (4904.5438 without restraints) Performing minimization step: 2244. Total energy = 4913.1910 kcal/mol (4902.0849 without restraints) Performing minimization step: 2245. Total energy = 4910.7310 kcal/mol (4899.6279 without restraints) Performing minimization step: 2246. Total energy = 4908.2736 kcal/mol (4897.1736 without restraints) Performing minimization step: 2247. Total energy = 4905.8189 kcal/mol (4894.7219 without restraints) Performing minimization step: 2248. Total energy = 4903.3660 kcal/mol (4892.2719 without restraints) Performing minimization step: 2249. Total energy = 4900.9155 kcal/mol (4889.8245 without restraints) Performing minimization step: 2250. Total energy = 4898.4675 kcal/mol (4887.3796 without restraints) Performing minimization step: 2251. Total energy = 4896.0221 kcal/mol (4884.9372 without restraints) Performing minimization step: 2252. Total energy = 4893.5785 kcal/mol (4882.4966 without restraints) Performing minimization step: 2253. Total energy = 4891.1379 kcal/mol (4880.0592 without restraints) Performing minimization step: 2254. Total energy = 4888.6995 kcal/mol (4877.6236 without restraints) Performing minimization step: 2255. Total energy = 4886.2635 kcal/mol (4875.1906 without restraints) Performing minimization step: 2256. Total energy = 4883.8294 kcal/mol (4872.7596 without restraints) Performing minimization step: 2257. Total energy = 4881.3981 kcal/mol (4870.3313 without restraints) Performing minimization step: 2258. Total energy = 4878.9688 kcal/mol (4867.9052 without restraints) Performing minimization step: 2259. Total energy = 4876.5421 kcal/mol (4865.4815 without restraints) Performing minimization step: 2260. Total energy = 4874.1179 kcal/mol (4863.0603 without restraints) Performing minimization step: 2261. Total energy = 4871.6961 kcal/mol (4860.6417 without restraints) Performing minimization step: 2262. Total energy = 4869.2768 kcal/mol (4858.2251 without restraints) Performing minimization step: 2263. Total energy = 4866.8596 kcal/mol (4855.8109 without restraints) Performing minimization step: 2264. Total energy = 4864.4446 kcal/mol (4853.3990 without restraints) Performing minimization step: 2265. Total energy = 4862.0317 kcal/mol (4850.9891 without restraints) Performing minimization step: 2266. Total energy = 4859.6212 kcal/mol (4848.5815 without restraints) Performing minimization step: 2267. Total energy = 4857.2130 kcal/mol (4846.1764 without restraints) Performing minimization step: 2268. Total energy = 4854.8072 kcal/mol (4843.7736 without restraints) Performing minimization step: 2269. Total energy = 4852.4037 kcal/mol (4841.3731 without restraints) Performing minimization step: 2270. Total energy = 4850.0028 kcal/mol (4838.9752 without restraints) Performing minimization step: 2271. Total energy = 4847.6042 kcal/mol (4836.5796 without restraints) Performing minimization step: 2272. Total energy = 4845.2076 kcal/mol (4834.1859 without restraints) Performing minimization step: 2273. Total energy = 4842.8132 kcal/mol (4831.7945 without restraints) Performing minimization step: 2274. Total energy = 4840.4215 kcal/mol (4829.4059 without restraints) Performing minimization step: 2275. Total energy = 4838.0319 kcal/mol (4827.0192 without restraints) Performing minimization step: 2276. Total energy = 4835.6450 kcal/mol (4824.6354 without restraints) Performing minimization step: 2277. Total energy = 4833.2602 kcal/mol (4822.2537 without restraints) Performing minimization step: 2278. Total energy = 4830.8780 kcal/mol (4819.8745 without restraints) Performing minimization step: 2279. Total energy = 4828.4979 kcal/mol (4817.4974 without restraints) Performing minimization step: 2280. Total energy = 4826.1202 kcal/mol (4815.1225 without restraints) Performing minimization step: 2281. Total energy = 4823.7443 kcal/mol (4812.7498 without restraints) Performing minimization step: 2282. Total energy = 4821.3711 kcal/mol (4810.3796 without restraints) Performing minimization step: 2283. Total energy = 4818.9999 kcal/mol (4808.0114 without restraints) Performing minimization step: 2284. Total energy = 4816.6311 kcal/mol (4805.6456 without restraints) Performing minimization step: 2285. Total energy = 4814.2645 kcal/mol (4803.2819 without restraints) Performing minimization step: 2286. Total energy = 4811.9001 kcal/mol (4800.9206 without restraints) Performing minimization step: 2287. Total energy = 4809.5378 kcal/mol (4798.5613 without restraints) Performing minimization step: 2288. Total energy = 4807.1781 kcal/mol (4796.2046 without restraints) Performing minimization step: 2289. Total energy = 4804.8211 kcal/mol (4793.8505 without restraints) Performing minimization step: 2290. Total energy = 4802.4658 kcal/mol (4791.4982 without restraints) Performing minimization step: 2291. Total energy = 4800.1130 kcal/mol (4789.1484 without restraints) Performing minimization step: 2292. Total energy = 4797.7625 kcal/mol (4786.8009 without restraints) Performing minimization step: 2293. Total energy = 4795.4142 kcal/mol (4784.4556 without restraints) Performing minimization step: 2294. Total energy = 4793.0679 kcal/mol (4782.1125 without restraints) Performing minimization step: 2295. Total energy = 4790.7246 kcal/mol (4779.7721 without restraints) Performing minimization step: 2296. Total energy = 4788.3831 kcal/mol (4777.4335 without restraints) Performing minimization step: 2297. Total energy = 4786.0436 kcal/mol (4775.0969 without restraints) Performing minimization step: 2298. Total energy = 4783.7063 kcal/mol (4772.7627 without restraints) Performing minimization step: 2299. Total energy = 4781.3715 kcal/mol (4770.4308 without restraints) Performing minimization step: 2300. Total energy = 4779.0391 kcal/mol (4768.1015 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2301. Total energy = 4776.7088 kcal/mol (4765.7742 without restraints) Performing minimization step: 2302. Total energy = 4774.3807 kcal/mol (4763.4489 without restraints) Performing minimization step: 2303. Total energy = 4772.0550 kcal/mol (4761.1263 without restraints) Performing minimization step: 2304. Total energy = 4769.7312 kcal/mol (4758.8055 without restraints) Performing minimization step: 2305. Total energy = 4767.4095 kcal/mol (4756.4866 without restraints) Performing minimization step: 2306. Total energy = 4765.0899 kcal/mol (4754.1701 without restraints) Performing minimization step: 2307. Total energy = 4762.7729 kcal/mol (4751.8561 without restraints) Performing minimization step: 2308. Total energy = 4760.4581 kcal/mol (4749.5442 without restraints) Performing minimization step: 2309. Total energy = 4758.1450 kcal/mol (4747.2342 without restraints) Performing minimization step: 2310. Total energy = 4755.8342 kcal/mol (4744.9263 without restraints) Performing minimization step: 2311. Total energy = 4753.5260 kcal/mol (4742.6211 without restraints) Performing minimization step: 2312. Total energy = 4751.2201 kcal/mol (4740.3181 without restraints) Performing minimization step: 2313. Total energy = 4748.9162 kcal/mol (4738.0172 without restraints) Performing minimization step: 2314. Total energy = 4746.6147 kcal/mol (4735.7187 without restraints) Performing minimization step: 2315. Total energy = 4744.3151 kcal/mol (4733.4219 without restraints) Performing minimization step: 2316. Total energy = 4742.0174 kcal/mol (4731.1274 without restraints) Performing minimization step: 2317. Total energy = 4739.7217 kcal/mol (4728.8346 without restraints) Performing minimization step: 2318. Total energy = 4737.4287 kcal/mol (4726.5446 without restraints) Performing minimization step: 2319. Total energy = 4735.1380 kcal/mol (4724.2568 without restraints) Performing minimization step: 2320. Total energy = 4732.8492 kcal/mol (4721.9710 without restraints) Performing minimization step: 2321. Total energy = 4730.5632 kcal/mol (4719.6881 without restraints) Performing minimization step: 2322. Total energy = 4728.2788 kcal/mol (4717.4066 without restraints) Performing minimization step: 2323. Total energy = 4725.9967 kcal/mol (4715.1275 without restraints) Performing minimization step: 2324. Total energy = 4723.7175 kcal/mol (4712.8511 without restraints) Performing minimization step: 2325. Total energy = 4721.4399 kcal/mol (4710.5765 without restraints) Performing minimization step: 2326. Total energy = 4719.1642 kcal/mol (4708.3038 without restraints) Performing minimization step: 2327. Total energy = 4716.8921 kcal/mol (4706.0348 without restraints) Performing minimization step: 2328. Total energy = 4714.6214 kcal/mol (4703.7672 without restraints) Performing minimization step: 2329. Total energy = 4712.3529 kcal/mol (4701.5015 without restraints) Performing minimization step: 2330. Total energy = 4710.0862 kcal/mol (4699.2377 without restraints) Performing minimization step: 2331. Total energy = 4707.8218 kcal/mol (4696.9762 without restraints) Performing minimization step: 2332. Total energy = 4705.5597 kcal/mol (4694.7173 without restraints) Performing minimization step: 2333. Total energy = 4703.2996 kcal/mol (4692.4599 without restraints) Performing minimization step: 2334. Total energy = 4701.0413 kcal/mol (4690.2046 without restraints) Performing minimization step: 2335. Total energy = 4698.7855 kcal/mol (4687.9517 without restraints) Performing minimization step: 2336. Total energy = 4696.5320 kcal/mol (4685.7012 without restraints) Performing minimization step: 2337. Total energy = 4694.2803 kcal/mol (4683.4525 without restraints) Performing minimization step: 2338. Total energy = 4692.0312 kcal/mol (4681.2063 without restraints) Performing minimization step: 2339. Total energy = 4689.7843 kcal/mol (4678.9624 without restraints) Performing minimization step: 2340. Total energy = 4687.5392 kcal/mol (4676.7202 without restraints) Performing minimization step: 2341. Total energy = 4685.2957 kcal/mol (4674.4797 without restraints) Performing minimization step: 2342. Total energy = 4683.0548 kcal/mol (4672.2419 without restraints) Performing minimization step: 2343. Total energy = 4680.8160 kcal/mol (4670.0059 without restraints) Performing minimization step: 2344. Total energy = 4678.5795 kcal/mol (4667.7723 without restraints) Performing minimization step: 2345. Total energy = 4676.3451 kcal/mol (4665.5410 without restraints) Performing minimization step: 2346. Total energy = 4674.1132 kcal/mol (4663.3119 without restraints) Performing minimization step: 2347. Total energy = 4671.8826 kcal/mol (4661.0842 without restraints) Performing minimization step: 2348. Total energy = 4669.6546 kcal/mol (4658.8591 without restraints) Performing minimization step: 2349. Total energy = 4667.4284 kcal/mol (4656.6360 without restraints) Performing minimization step: 2350. Total energy = 4665.2042 kcal/mol (4654.4146 without restraints) Performing minimization step: 2351. Total energy = 4662.9824 kcal/mol (4652.1956 without restraints) Performing minimization step: 2352. Total energy = 4660.7626 kcal/mol (4649.9789 without restraints) Performing minimization step: 2353. Total energy = 4658.5448 kcal/mol (4647.7641 without restraints) Performing minimization step: 2354. Total energy = 4656.3287 kcal/mol (4645.5508 without restraints) Performing minimization step: 2355. Total energy = 4654.1153 kcal/mol (4643.3405 without restraints) Performing minimization step: 2356. Total energy = 4651.9040 kcal/mol (4641.1321 without restraints) Performing minimization step: 2357. Total energy = 4649.6946 kcal/mol (4638.9257 without restraints) Performing minimization step: 2358. Total energy = 4647.4875 kcal/mol (4636.7215 without restraints) Performing minimization step: 2359. Total energy = 4645.2823 kcal/mol (4634.5192 without restraints) Performing minimization step: 2360. Total energy = 4643.0792 kcal/mol (4632.3190 without restraints) Performing minimization step: 2361. Total energy = 4640.8780 kcal/mol (4630.1208 without restraints) Performing minimization step: 2362. Total energy = 4638.6794 kcal/mol (4627.9251 without restraints) Performing minimization step: 2363. Total energy = 4636.4828 kcal/mol (4625.7314 without restraints) Performing minimization step: 2364. Total energy = 4634.2882 kcal/mol (4623.5397 without restraints) Performing minimization step: 2365. Total energy = 4632.0957 kcal/mol (4621.3502 without restraints) Performing minimization step: 2366. Total energy = 4629.9044 kcal/mol (4619.1619 without restraints) Performing minimization step: 2367. Total energy = 4627.7159 kcal/mol (4616.9762 without restraints) Performing minimization step: 2368. Total energy = 4625.5300 kcal/mol (4614.7934 without restraints) Performing minimization step: 2369. Total energy = 4623.3456 kcal/mol (4612.6120 without restraints) Performing minimization step: 2370. Total energy = 4621.1637 kcal/mol (4610.4328 without restraints) Performing minimization step: 2371. Total energy = 4618.9835 kcal/mol (4608.2556 without restraints) Performing minimization step: 2372. Total energy = 4616.8053 kcal/mol (4606.0803 without restraints) Performing minimization step: 2373. Total energy = 4614.6292 kcal/mol (4603.9071 without restraints) Performing minimization step: 2374. Total energy = 4612.4551 kcal/mol (4601.7359 without restraints) Performing minimization step: 2375. Total energy = 4610.2831 kcal/mol (4599.5669 without restraints) Performing minimization step: 2376. Total energy = 4608.1132 kcal/mol (4597.3999 without restraints) Performing minimization step: 2377. Total energy = 4605.9456 kcal/mol (4595.2352 without restraints) Performing minimization step: 2378. Total energy = 4603.7799 kcal/mol (4593.0725 without restraints) Performing minimization step: 2379. Total energy = 4601.6161 kcal/mol (4590.9116 without restraints) Performing minimization step: 2380. Total energy = 4599.4545 kcal/mol (4588.7527 without restraints) Performing minimization step: 2381. Total energy = 4597.2944 kcal/mol (4586.5957 without restraints) Performing minimization step: 2382. Total energy = 4595.1366 kcal/mol (4584.4408 without restraints) Performing minimization step: 2383. Total energy = 4592.9807 kcal/mol (4582.2877 without restraints) Performing minimization step: 2384. Total energy = 4590.8272 kcal/mol (4580.1372 without restraints) Performing minimization step: 2385. Total energy = 4588.6757 kcal/mol (4577.9888 without restraints) Performing minimization step: 2386. Total energy = 4586.5267 kcal/mol (4575.8426 without restraints) Performing minimization step: 2387. Total energy = 4584.3793 kcal/mol (4573.6982 without restraints) Performing minimization step: 2388. Total energy = 4582.2340 kcal/mol (4571.5557 without restraints) Performing minimization step: 2389. Total energy = 4580.0906 kcal/mol (4569.4151 without restraints) Performing minimization step: 2390. Total energy = 4577.9490 kcal/mol (4567.2765 without restraints) Performing minimization step: 2391. Total energy = 4575.8098 kcal/mol (4565.1402 without restraints) Performing minimization step: 2392. Total energy = 4573.6725 kcal/mol (4563.0059 without restraints) Performing minimization step: 2393. Total energy = 4571.5370 kcal/mol (4560.8732 without restraints) Performing minimization step: 2394. Total energy = 4569.4039 kcal/mol (4558.7430 without restraints) Performing minimization step: 2395. Total energy = 4567.2727 kcal/mol (4556.6148 without restraints) Performing minimization step: 2396. Total energy = 4565.1430 kcal/mol (4554.4878 without restraints) Performing minimization step: 2397. Total energy = 4563.0161 kcal/mol (4552.3641 without restraints) Performing minimization step: 2398. Total energy = 4560.8907 kcal/mol (4550.2414 without restraints) Performing minimization step: 2399. Total energy = 4558.7671 kcal/mol (4548.1208 without restraints) Performing minimization step: 2400. Total energy = 4556.6458 kcal/mol (4546.0024 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2401. Total energy = 4554.5265 kcal/mol (4543.8860 without restraints) Performing minimization step: 2402. Total energy = 4552.4094 kcal/mol (4541.7718 without restraints) Performing minimization step: 2403. Total energy = 4550.2941 kcal/mol (4539.6593 without restraints) Performing minimization step: 2404. Total energy = 4548.1809 kcal/mol (4537.5490 without restraints) Performing minimization step: 2405. Total energy = 4546.0693 kcal/mol (4535.4403 without restraints) Performing minimization step: 2406. Total energy = 4543.9596 kcal/mol (4533.3334 without restraints) Performing minimization step: 2407. Total energy = 4541.8520 kcal/mol (4531.2288 without restraints) Performing minimization step: 2408. Total energy = 4539.7468 kcal/mol (4529.1266 without restraints) Performing minimization step: 2409. Total energy = 4537.6436 kcal/mol (4527.0261 without restraints) Performing minimization step: 2410. Total energy = 4535.5421 kcal/mol (4524.9276 without restraints) Performing minimization step: 2411. Total energy = 4533.4426 kcal/mol (4522.8309 without restraints) Performing minimization step: 2412. Total energy = 4531.3450 kcal/mol (4520.7362 without restraints) Performing minimization step: 2413. Total energy = 4529.2494 kcal/mol (4518.6435 without restraints) Performing minimization step: 2414. Total energy = 4527.1558 kcal/mol (4516.5528 without restraints) Performing minimization step: 2415. Total energy = 4525.0647 kcal/mol (4514.4646 without restraints) Performing minimization step: 2416. Total energy = 4522.9748 kcal/mol (4512.3776 without restraints) Performing minimization step: 2417. Total energy = 4520.8873 kcal/mol (4510.2930 without restraints) Performing minimization step: 2418. Total energy = 4518.8018 kcal/mol (4508.2104 without restraints) Performing minimization step: 2419. Total energy = 4516.7178 kcal/mol (4506.1293 without restraints) Performing minimization step: 2420. Total energy = 4514.6360 kcal/mol (4504.0503 without restraints) Performing minimization step: 2421. Total energy = 4512.5563 kcal/mol (4501.9734 without restraints) Performing minimization step: 2422. Total energy = 4510.4783 kcal/mol (4499.8984 without restraints) Performing minimization step: 2423. Total energy = 4508.4023 kcal/mol (4497.8253 without restraints) Performing minimization step: 2424. Total energy = 4506.3285 kcal/mol (4495.7544 without restraints) Performing minimization step: 2425. Total energy = 4504.2564 kcal/mol (4493.6851 without restraints) Performing minimization step: 2426. Total energy = 4502.1865 kcal/mol (4491.6181 without restraints) Performing minimization step: 2427. Total energy = 4500.1186 kcal/mol (4489.5532 without restraints) Performing minimization step: 2428. Total energy = 4498.0528 kcal/mol (4487.4902 without restraints) Performing minimization step: 2429. Total energy = 4495.9893 kcal/mol (4485.4295 without restraints) Performing minimization step: 2430. Total energy = 4493.9271 kcal/mol (4483.3702 without restraints) Performing minimization step: 2431. Total energy = 4491.8667 kcal/mol (4481.3127 without restraints) Performing minimization step: 2432. Total energy = 4489.8082 kcal/mol (4479.2570 without restraints) Performing minimization step: 2433. Total energy = 4487.7514 kcal/mol (4477.2030 without restraints) Performing minimization step: 2434. Total energy = 4485.6966 kcal/mol (4475.1512 without restraints) Performing minimization step: 2435. Total energy = 4483.6440 kcal/mol (4473.1015 without restraints) Performing minimization step: 2436. Total energy = 4481.5935 kcal/mol (4471.0538 without restraints) Performing minimization step: 2437. Total energy = 4479.5443 kcal/mol (4469.0075 without restraints) Performing minimization step: 2438. Total energy = 4477.4971 kcal/mol (4466.9630 without restraints) Performing minimization step: 2439. Total energy = 4475.4517 kcal/mol (4464.9207 without restraints) Performing minimization step: 2440. Total energy = 4473.4086 kcal/mol (4462.8804 without restraints) Performing minimization step: 2441. Total energy = 4471.3675 kcal/mol (4460.8420 without restraints) Performing minimization step: 2442. Total energy = 4469.3280 kcal/mol (4458.8055 without restraints) Performing minimization step: 2443. Total energy = 4467.2903 kcal/mol (4456.7706 without restraints) Performing minimization step: 2444. Total energy = 4465.2547 kcal/mol (4454.7380 without restraints) Performing minimization step: 2445. Total energy = 4463.2214 kcal/mol (4452.7074 without restraints) Performing minimization step: 2446. Total energy = 4461.1897 kcal/mol (4450.6786 without restraints) Performing minimization step: 2447. Total energy = 4459.1602 kcal/mol (4448.6520 without restraints) Performing minimization step: 2448. Total energy = 4457.1327 kcal/mol (4446.6274 without restraints) Performing minimization step: 2449. Total energy = 4455.1068 kcal/mol (4444.6043 without restraints) Performing minimization step: 2450. Total energy = 4453.0830 kcal/mol (4442.5834 without restraints) Performing minimization step: 2451. Total energy = 4451.0610 kcal/mol (4440.5642 without restraints) Performing minimization step: 2452. Total energy = 4449.0405 kcal/mol (4438.5466 without restraints) Performing minimization step: 2453. Total energy = 4447.0217 kcal/mol (4436.5307 without restraints) Performing minimization step: 2454. Total energy = 4445.0051 kcal/mol (4434.5169 without restraints) Performing minimization step: 2455. Total energy = 4442.9898 kcal/mol (4432.5044 without restraints) Performing minimization step: 2456. Total energy = 4440.9770 kcal/mol (4430.4945 without restraints) Performing minimization step: 2457. Total energy = 4438.9662 kcal/mol (4428.4866 without restraints) Performing minimization step: 2458. Total energy = 4436.9574 kcal/mol (4426.4808 without restraints) Performing minimization step: 2459. Total energy = 4434.9504 kcal/mol (4424.4764 without restraints) Performing minimization step: 2460. Total energy = 4432.9450 kcal/mol (4422.4739 without restraints) Performing minimization step: 2461. Total energy = 4430.9412 kcal/mol (4420.4730 without restraints) Performing minimization step: 2462. Total energy = 4428.9396 kcal/mol (4418.4742 without restraints) Performing minimization step: 2463. Total energy = 4426.9399 kcal/mol (4416.4773 without restraints) Performing minimization step: 2464. Total energy = 4424.9422 kcal/mol (4414.4823 without restraints) Performing minimization step: 2465. Total energy = 4422.9463 kcal/mol (4412.4894 without restraints) Performing minimization step: 2466. Total energy = 4420.9522 kcal/mol (4410.4981 without restraints) Performing minimization step: 2467. Total energy = 4418.9603 kcal/mol (4408.5091 without restraints) Performing minimization step: 2468. Total energy = 4416.9701 kcal/mol (4406.5217 without restraints) Performing minimization step: 2469. Total energy = 4414.9819 kcal/mol (4404.5363 without restraints) Performing minimization step: 2470. Total energy = 4412.9951 kcal/mol (4402.5524 without restraints) Performing minimization step: 2471. Total energy = 4411.0102 kcal/mol (4400.5702 without restraints) Performing minimization step: 2472. Total energy = 4409.0271 kcal/mol (4398.5900 without restraints) Performing minimization step: 2473. Total energy = 4407.0454 kcal/mol (4396.6113 without restraints) Performing minimization step: 2474. Total energy = 4405.0661 kcal/mol (4394.6347 without restraints) Performing minimization step: 2475. Total energy = 4403.0886 kcal/mol (4392.6601 without restraints) Performing minimization step: 2476. Total energy = 4401.1129 kcal/mol (4390.6872 without restraints) Performing minimization step: 2477. Total energy = 4399.1391 kcal/mol (4388.7163 without restraints) Performing minimization step: 2478. Total energy = 4397.1673 kcal/mol (4386.7473 without restraints) Performing minimization step: 2479. Total energy = 4395.1976 kcal/mol (4384.7805 without restraints) Performing minimization step: 2480. Total energy = 4393.2297 kcal/mol (4382.8155 without restraints) Performing minimization step: 2481. Total energy = 4391.2637 kcal/mol (4380.8521 without restraints) Performing minimization step: 2482. Total energy = 4389.2997 kcal/mol (4378.8909 without restraints) Performing minimization step: 2483. Total energy = 4387.3368 kcal/mol (4376.9309 without restraints) Performing minimization step: 2484. Total energy = 4385.3759 kcal/mol (4374.9729 without restraints) Performing minimization step: 2485. Total energy = 4383.4172 kcal/mol (4373.0169 without restraints) Performing minimization step: 2486. Total energy = 4381.4596 kcal/mol (4371.0622 without restraints) Performing minimization step: 2487. Total energy = 4379.5041 kcal/mol (4369.1095 without restraints) Performing minimization step: 2488. Total energy = 4377.5506 kcal/mol (4367.1588 without restraints) Performing minimization step: 2489. Total energy = 4375.5989 kcal/mol (4365.2101 without restraints) Performing minimization step: 2490. Total energy = 4373.6490 kcal/mol (4363.2628 without restraints) Performing minimization step: 2491. Total energy = 4371.7008 kcal/mol (4361.3175 without restraints) Performing minimization step: 2492. Total energy = 4369.7544 kcal/mol (4359.3740 without restraints) Performing minimization step: 2493. Total energy = 4367.8101 kcal/mol (4357.4324 without restraints) Performing minimization step: 2494. Total energy = 4365.8671 kcal/mol (4355.4921 without restraints) Performing minimization step: 2495. Total energy = 4363.9257 kcal/mol (4353.5536 without restraints) Performing minimization step: 2496. Total energy = 4361.9865 kcal/mol (4351.6172 without restraints) Performing minimization step: 2497. Total energy = 4360.0492 kcal/mol (4349.6828 without restraints) Performing minimization step: 2498. Total energy = 4358.1138 kcal/mol (4347.7503 without restraints) Performing minimization step: 2499. Total energy = 4356.1802 kcal/mol (4345.8195 without restraints) Performing minimization step: 2500. Total energy = 4354.2487 kcal/mol (4343.8907 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2501. Total energy = 4352.3184 kcal/mol (4341.9632 without restraints) Performing minimization step: 2502. Total energy = 4350.3901 kcal/mol (4340.0377 without restraints) Performing minimization step: 2503. Total energy = 4348.4634 kcal/mol (4338.1138 without restraints) Performing minimization step: 2504. Total energy = 4346.5390 kcal/mol (4336.1923 without restraints) Performing minimization step: 2505. Total energy = 4344.6161 kcal/mol (4334.2721 without restraints) Performing minimization step: 2506. Total energy = 4342.6949 kcal/mol (4332.3538 without restraints) Performing minimization step: 2507. Total energy = 4340.7753 kcal/mol (4330.4370 without restraints) Performing minimization step: 2508. Total energy = 4338.8575 kcal/mol (4328.5219 without restraints) Performing minimization step: 2509. Total energy = 4336.9417 kcal/mol (4326.6089 without restraints) Performing minimization step: 2510. Total energy = 4335.0274 kcal/mol (4324.6975 without restraints) Performing minimization step: 2511. Total energy = 4333.1150 kcal/mol (4322.7878 without restraints) Performing minimization step: 2512. Total energy = 4331.2043 kcal/mol (4320.8799 without restraints) Performing minimization step: 2513. Total energy = 4329.2952 kcal/mol (4318.9736 without restraints) Performing minimization step: 2514. Total energy = 4327.3880 kcal/mol (4317.0693 without restraints) Performing minimization step: 2515. Total energy = 4325.4829 kcal/mol (4315.1669 without restraints) Performing minimization step: 2516. Total energy = 4323.5791 kcal/mol (4313.2660 without restraints) Performing minimization step: 2517. Total energy = 4321.6773 kcal/mol (4311.3669 without restraints) Performing minimization step: 2518. Total energy = 4319.7772 kcal/mol (4309.4697 without restraints) Performing minimization step: 2519. Total energy = 4317.8787 kcal/mol (4307.5739 without restraints) Performing minimization step: 2520. Total energy = 4315.9821 kcal/mol (4305.6802 without restraints) Performing minimization step: 2521. Total energy = 4314.0874 kcal/mol (4303.7880 without restraints) Performing minimization step: 2522. Total energy = 4312.1941 kcal/mol (4301.8977 without restraints) Performing minimization step: 2523. Total energy = 4310.3026 kcal/mol (4300.0090 without restraints) Performing minimization step: 2524. Total energy = 4308.4131 kcal/mol (4298.1224 without restraints) Performing minimization step: 2525. Total energy = 4306.5254 kcal/mol (4296.2374 without restraints) Performing minimization step: 2526. Total energy = 4304.6398 kcal/mol (4294.3546 without restraints) Performing minimization step: 2527. Total energy = 4302.7556 kcal/mol (4292.4732 without restraints) Performing minimization step: 2528. Total energy = 4300.8733 kcal/mol (4290.5936 without restraints) Performing minimization step: 2529. Total energy = 4298.9925 kcal/mol (4288.7156 without restraints) Performing minimization step: 2530. Total energy = 4297.1138 kcal/mol (4286.8398 without restraints) Performing minimization step: 2531. Total energy = 4295.2368 kcal/mol (4284.9655 without restraints) Performing minimization step: 2532. Total energy = 4293.3614 kcal/mol (4283.0929 without restraints) Performing minimization step: 2533. Total energy = 4291.4877 kcal/mol (4281.2220 without restraints) Performing minimization step: 2534. Total energy = 4289.6161 kcal/mol (4279.3531 without restraints) Performing minimization step: 2535. Total energy = 4287.7460 kcal/mol (4277.4858 without restraints) Performing minimization step: 2536. Total energy = 4285.8774 kcal/mol (4275.6199 without restraints) Performing minimization step: 2537. Total energy = 4284.0104 kcal/mol (4273.7558 without restraints) Performing minimization step: 2538. Total energy = 4282.1452 kcal/mol (4271.8933 without restraints) Performing minimization step: 2539. Total energy = 4280.2815 kcal/mol (4270.0324 without restraints) Performing minimization step: 2540. Total energy = 4278.4199 kcal/mol (4268.1735 without restraints) Performing minimization step: 2541. Total energy = 4276.5598 kcal/mol (4266.3163 without restraints) Performing minimization step: 2542. Total energy = 4274.7016 kcal/mol (4264.4608 without restraints) Performing minimization step: 2543. Total energy = 4272.8450 kcal/mol (4262.6070 without restraints) Performing minimization step: 2544. Total energy = 4270.9903 kcal/mol (4260.7553 without restraints) Performing minimization step: 2545. Total energy = 4269.1381 kcal/mol (4258.9056 without restraints) Performing minimization step: 2546. Total energy = 4267.2868 kcal/mol (4257.0571 without restraints) Performing minimization step: 2547. Total energy = 4265.4372 kcal/mol (4255.2102 without restraints) Performing minimization step: 2548. Total energy = 4263.5894 kcal/mol (4253.3652 without restraints) Performing minimization step: 2549. Total energy = 4261.7430 kcal/mol (4251.5215 without restraints) Performing minimization step: 2550. Total energy = 4259.8985 kcal/mol (4249.6799 without restraints) Performing minimization step: 2551. Total energy = 4258.0556 kcal/mol (4247.8398 without restraints) Performing minimization step: 2552. Total energy = 4256.2146 kcal/mol (4246.0015 without restraints) Performing minimization step: 2553. Total energy = 4254.3748 kcal/mol (4244.1645 without restraints) Performing minimization step: 2554. Total energy = 4252.5375 kcal/mol (4242.3299 without restraints) Performing minimization step: 2555. Total energy = 4250.7013 kcal/mol (4240.4965 without restraints) Performing minimization step: 2556. Total energy = 4248.8670 kcal/mol (4238.6649 without restraints) Performing minimization step: 2557. Total energy = 4247.0342 kcal/mol (4236.8349 without restraints) Performing minimization step: 2558. Total energy = 4245.2034 kcal/mol (4235.0070 without restraints) Performing minimization step: 2559. Total energy = 4243.3743 kcal/mol (4233.1805 without restraints) Performing minimization step: 2560. Total energy = 4241.5468 kcal/mol (4231.3558 without restraints) Performing minimization step: 2561. Total energy = 4239.7208 kcal/mol (4229.5326 without restraints) Performing minimization step: 2562. Total energy = 4237.8965 kcal/mol (4227.7110 without restraints) Performing minimization step: 2563. Total energy = 4236.0738 kcal/mol (4225.8910 without restraints) Performing minimization step: 2564. Total energy = 4234.2532 kcal/mol (4224.0732 without restraints) Performing minimization step: 2565. Total energy = 4232.4342 kcal/mol (4222.2569 without restraints) Performing minimization step: 2566. Total energy = 4230.6168 kcal/mol (4220.4423 without restraints) Performing minimization step: 2567. Total energy = 4228.8011 kcal/mol (4218.6293 without restraints) Performing minimization step: 2568. Total energy = 4226.9863 kcal/mol (4216.8173 without restraints) Performing minimization step: 2569. Total energy = 4225.1732 kcal/mol (4215.0070 without restraints) Performing minimization step: 2570. Total energy = 4223.3625 kcal/mol (4213.1990 without restraints) Performing minimization step: 2571. Total energy = 4221.5533 kcal/mol (4211.3925 without restraints) Performing minimization step: 2572. Total energy = 4219.7459 kcal/mol (4209.5878 without restraints) Performing minimization step: 2573. Total energy = 4217.9398 kcal/mol (4207.7848 without restraints) Performing minimization step: 2574. Total energy = 4216.1358 kcal/mol (4205.9832 without restraints) Performing minimization step: 2575. Total energy = 4214.3331 kcal/mol (4204.1833 without restraints) Performing minimization step: 2576. Total energy = 4212.5324 kcal/mol (4202.3854 without restraints) Performing minimization step: 2577. Total energy = 4210.7335 kcal/mol (4200.5893 without restraints) Performing minimization step: 2578. Total energy = 4208.9359 kcal/mol (4198.7944 without restraints) Performing minimization step: 2579. Total energy = 4207.1399 kcal/mol (4197.0011 without restraints) Performing minimization step: 2580. Total energy = 4205.3457 kcal/mol (4195.2096 without restraints) Performing minimization step: 2581. Total energy = 4203.5530 kcal/mol (4193.4197 without restraints) Performing minimization step: 2582. Total energy = 4201.7625 kcal/mol (4191.6320 without restraints) Performing minimization step: 2583. Total energy = 4199.9731 kcal/mol (4189.8452 without restraints) Performing minimization step: 2584. Total energy = 4198.1856 kcal/mol (4188.0604 without restraints) Performing minimization step: 2585. Total energy = 4196.3997 kcal/mol (4186.2773 without restraints) Performing minimization step: 2586. Total energy = 4194.6155 kcal/mol (4184.4959 without restraints) Performing minimization step: 2587. Total energy = 4192.8325 kcal/mol (4182.7156 without restraints) Performing minimization step: 2588. Total energy = 4191.0514 kcal/mol (4180.9371 without restraints) Performing minimization step: 2589. Total energy = 4189.2714 kcal/mol (4179.1598 without restraints) Performing minimization step: 2590. Total energy = 4187.4936 kcal/mol (4177.3848 without restraints) Performing minimization step: 2591. Total energy = 4185.7172 kcal/mol (4175.6112 without restraints) Performing minimization step: 2592. Total energy = 4183.9425 kcal/mol (4173.8392 without restraints) Performing minimization step: 2593. Total energy = 4182.1695 kcal/mol (4172.0689 without restraints) Performing minimization step: 2594. Total energy = 4180.3986 kcal/mol (4170.3009 without restraints) Performing minimization step: 2595. Total energy = 4178.6291 kcal/mol (4168.5340 without restraints) Performing minimization step: 2596. Total energy = 4176.8610 kcal/mol (4166.7686 without restraints) Performing minimization step: 2597. Total energy = 4175.0942 kcal/mol (4165.0045 without restraints) Performing minimization step: 2598. Total energy = 4173.3292 kcal/mol (4163.2423 without restraints) Performing minimization step: 2599. Total energy = 4171.5662 kcal/mol (4161.4821 without restraints) Performing minimization step: 2600. Total energy = 4169.8045 kcal/mol (4159.7230 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2601. Total energy = 4168.0442 kcal/mol (4157.9654 without restraints) Performing minimization step: 2602. Total energy = 4166.2853 kcal/mol (4156.2092 without restraints) Performing minimization step: 2603. Total energy = 4164.5286 kcal/mol (4154.4552 without restraints) Performing minimization step: 2604. Total energy = 4162.7733 kcal/mol (4152.7026 without restraints) Performing minimization step: 2605. Total energy = 4161.0197 kcal/mol (4150.9517 without restraints) Performing minimization step: 2606. Total energy = 4159.2683 kcal/mol (4149.2032 without restraints) Performing minimization step: 2607. Total energy = 4157.5181 kcal/mol (4147.4556 without restraints) Performing minimization step: 2608. Total energy = 4155.7694 kcal/mol (4145.7096 without restraints) Performing minimization step: 2609. Total energy = 4154.0225 kcal/mol (4143.9655 without restraints) Performing minimization step: 2610. Total energy = 4152.2768 kcal/mol (4142.2224 without restraints) Performing minimization step: 2611. Total energy = 4150.5328 kcal/mol (4140.4811 without restraints) Performing minimization step: 2612. Total energy = 4148.7903 kcal/mol (4138.7414 without restraints) Performing minimization step: 2613. Total energy = 4147.0498 kcal/mol (4137.0036 without restraints) Performing minimization step: 2614. Total energy = 4145.3111 kcal/mol (4135.2676 without restraints) Performing minimization step: 2615. Total energy = 4143.5731 kcal/mol (4133.5324 without restraints) Performing minimization step: 2616. Total energy = 4141.8375 kcal/mol (4131.7993 without restraints) Performing minimization step: 2617. Total energy = 4140.1034 kcal/mol (4130.0679 without restraints) Performing minimization step: 2618. Total energy = 4138.3709 kcal/mol (4128.3381 without restraints) Performing minimization step: 2619. Total energy = 4136.6395 kcal/mol (4126.6095 without restraints) Performing minimization step: 2620. Total energy = 4134.9100 kcal/mol (4124.8827 without restraints) Performing minimization step: 2621. Total energy = 4133.1817 kcal/mol (4123.1571 without restraints) Performing minimization step: 2622. Total energy = 4131.4552 kcal/mol (4121.4333 without restraints) Performing minimization step: 2623. Total energy = 4129.7302 kcal/mol (4119.7110 without restraints) Performing minimization step: 2624. Total energy = 4128.0068 kcal/mol (4117.9902 without restraints) Performing minimization step: 2625. Total energy = 4126.2851 kcal/mol (4116.2713 without restraints) Performing minimization step: 2626. Total energy = 4124.5649 kcal/mol (4114.5537 without restraints) Performing minimization step: 2627. Total energy = 4122.8461 kcal/mol (4112.8377 without restraints) Performing minimization step: 2628. Total energy = 4121.1288 kcal/mol (4111.1230 without restraints) Performing minimization step: 2629. Total energy = 4119.4135 kcal/mol (4109.4105 without restraints) Performing minimization step: 2630. Total energy = 4117.6998 kcal/mol (4107.6995 without restraints) Performing minimization step: 2631. Total energy = 4115.9876 kcal/mol (4105.9900 without restraints) Performing minimization step: 2632. Total energy = 4114.2767 kcal/mol (4104.2817 without restraints) Performing minimization step: 2633. Total energy = 4112.5675 kcal/mol (4102.5751 without restraints) Performing minimization step: 2634. Total energy = 4110.8596 kcal/mol (4100.8700 without restraints) Performing minimization step: 2635. Total energy = 4109.1534 kcal/mol (4099.1665 without restraints) Performing minimization step: 2636. Total energy = 4107.4485 kcal/mol (4097.4643 without restraints) Performing minimization step: 2637. Total energy = 4105.7451 kcal/mol (4095.7635 without restraints) Performing minimization step: 2638. Total energy = 4104.0435 kcal/mol (4094.0646 without restraints) Performing minimization step: 2639. Total energy = 4102.3435 kcal/mol (4092.3673 without restraints) Performing minimization step: 2640. Total energy = 4100.6455 kcal/mol (4090.6720 without restraints) Performing minimization step: 2641. Total energy = 4098.9485 kcal/mol (4088.9777 without restraints) Performing minimization step: 2642. Total energy = 4097.2529 kcal/mol (4087.2848 without restraints) Performing minimization step: 2643. Total energy = 4095.5591 kcal/mol (4085.5937 without restraints) Performing minimization step: 2644. Total energy = 4093.8667 kcal/mol (4083.9039 without restraints) Performing minimization step: 2645. Total energy = 4092.1759 kcal/mol (4082.2158 without restraints) Performing minimization step: 2646. Total energy = 4090.4867 kcal/mol (4080.5293 without restraints) Performing minimization step: 2647. Total energy = 4088.7998 kcal/mol (4078.8451 without restraints) Performing minimization step: 2648. Total energy = 4087.1139 kcal/mol (4077.1618 without restraints) Performing minimization step: 2649. Total energy = 4085.4292 kcal/mol (4075.4798 without restraints) Performing minimization step: 2650. Total energy = 4083.7462 kcal/mol (4073.7994 without restraints) Performing minimization step: 2651. Total energy = 4082.0644 kcal/mol (4072.1204 without restraints) Performing minimization step: 2652. Total energy = 4080.3842 kcal/mol (4070.4428 without restraints) Performing minimization step: 2653. Total energy = 4078.7061 kcal/mol (4068.7675 without restraints) Performing minimization step: 2654. Total energy = 4077.0288 kcal/mol (4067.0928 without restraints) Performing minimization step: 2655. Total energy = 4075.3536 kcal/mol (4065.4202 without restraints) Performing minimization step: 2656. Total energy = 4073.6797 kcal/mol (4063.7490 without restraints) Performing minimization step: 2657. Total energy = 4072.0071 kcal/mol (4062.0790 without restraints) Performing minimization step: 2658. Total energy = 4070.3361 kcal/mol (4060.4108 without restraints) Performing minimization step: 2659. Total energy = 4068.6662 kcal/mol (4058.7435 without restraints) Performing minimization step: 2660. Total energy = 4066.9985 kcal/mol (4057.0785 without restraints) Performing minimization step: 2661. Total energy = 4065.3326 kcal/mol (4055.4153 without restraints) Performing minimization step: 2662. Total energy = 4063.6681 kcal/mol (4053.7533 without restraints) Performing minimization step: 2663. Total energy = 4062.0048 kcal/mol (4052.0927 without restraints) Performing minimization step: 2664. Total energy = 4060.3433 kcal/mol (4050.4339 without restraints) Performing minimization step: 2665. Total energy = 4058.6832 kcal/mol (4048.7765 without restraints) Performing minimization step: 2666. Total energy = 4057.0245 kcal/mol (4047.1203 without restraints) Performing minimization step: 2667. Total energy = 4055.3671 kcal/mol (4045.4657 without restraints) Performing minimization step: 2668. Total energy = 4053.7112 kcal/mol (4043.8124 without restraints) Performing minimization step: 2669. Total energy = 4052.0569 kcal/mol (4042.1607 without restraints) Performing minimization step: 2670. Total energy = 4050.4043 kcal/mol (4040.5108 without restraints) Performing minimization step: 2671. Total energy = 4048.7528 kcal/mol (4038.8620 without restraints) Performing minimization step: 2672. Total energy = 4047.1029 kcal/mol (4037.2148 without restraints) Performing minimization step: 2673. Total energy = 4045.4548 kcal/mol (4035.5695 without restraints) Performing minimization step: 2674. Total energy = 4043.8082 kcal/mol (4033.9254 without restraints) Performing minimization step: 2675. Total energy = 4042.1630 kcal/mol (4032.2829 without restraints) Performing minimization step: 2676. Total energy = 4040.5195 kcal/mol (4030.6421 without restraints) Performing minimization step: 2677. Total energy = 4038.8774 kcal/mol (4029.0025 without restraints) Performing minimization step: 2678. Total energy = 4037.2363 kcal/mol (4027.3640 without restraints) Performing minimization step: 2679. Total energy = 4035.5971 kcal/mol (4025.7275 without restraints) Performing minimization step: 2680. Total energy = 4033.9592 kcal/mol (4024.0922 without restraints) Performing minimization step: 2681. Total energy = 4032.3225 kcal/mol (4022.4582 without restraints) Performing minimization step: 2682. Total energy = 4030.6877 kcal/mol (4020.8260 without restraints) Performing minimization step: 2683. Total energy = 4029.0542 kcal/mol (4019.1952 without restraints) Performing minimization step: 2684. Total energy = 4027.4222 kcal/mol (4017.5658 without restraints) Performing minimization step: 2685. Total energy = 4025.7919 kcal/mol (4015.9381 without restraints) Performing minimization step: 2686. Total energy = 4024.1628 kcal/mol (4014.3117 without restraints) Performing minimization step: 2687. Total energy = 4022.5359 kcal/mol (4012.6874 without restraints) Performing minimization step: 2688. Total energy = 4020.9099 kcal/mol (4011.0641 without restraints) Performing minimization step: 2689. Total energy = 4019.2853 kcal/mol (4009.4421 without restraints) Performing minimization step: 2690. Total energy = 4017.6623 kcal/mol (4007.8218 without restraints) Performing minimization step: 2691. Total energy = 4016.0404 kcal/mol (4006.2024 without restraints) Performing minimization step: 2692. Total energy = 4014.4198 kcal/mol (4004.5846 without restraints) Performing minimization step: 2693. Total energy = 4012.8017 kcal/mol (4002.9691 without restraints) Performing minimization step: 2694. Total energy = 4011.1843 kcal/mol (4001.3542 without restraints) Performing minimization step: 2695. Total energy = 4009.5689 kcal/mol (3999.7415 without restraints) Performing minimization step: 2696. Total energy = 4007.9545 kcal/mol (3998.1298 without restraints) Performing minimization step: 2697. Total energy = 4006.3420 kcal/mol (3996.5198 without restraints) Performing minimization step: 2698. Total energy = 4004.7305 kcal/mol (3994.9110 without restraints) Performing minimization step: 2699. Total energy = 4003.1204 kcal/mol (3993.3036 without restraints) Performing minimization step: 2700. Total energy = 4001.5118 kcal/mol (3991.6976 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2701. Total energy = 3999.9052 kcal/mol (3990.0937 without restraints) Performing minimization step: 2702. Total energy = 3998.2992 kcal/mol (3988.4902 without restraints) Performing minimization step: 2703. Total energy = 3996.6949 kcal/mol (3986.8885 without restraints) Performing minimization step: 2704. Total energy = 3995.0920 kcal/mol (3985.2883 without restraints) Performing minimization step: 2705. Total energy = 3993.4906 kcal/mol (3983.6895 without restraints) Performing minimization step: 2706. Total energy = 3991.8905 kcal/mol (3982.0920 without restraints) Performing minimization step: 2707. Total energy = 3990.2921 kcal/mol (3980.4963 without restraints) Performing minimization step: 2708. Total energy = 3988.6947 kcal/mol (3978.9014 without restraints) Performing minimization step: 2709. Total energy = 3987.0990 kcal/mol (3977.3084 without restraints) Performing minimization step: 2710. Total energy = 3985.5050 kcal/mol (3975.7168 without restraints) Performing minimization step: 2711. Total energy = 3983.9121 kcal/mol (3974.1267 without restraints) Performing minimization step: 2712. Total energy = 3982.3210 kcal/mol (3972.5383 without restraints) Performing minimization step: 2713. Total energy = 3980.7314 kcal/mol (3970.9512 without restraints) Performing minimization step: 2714. Total energy = 3979.1436 kcal/mol (3969.3662 without restraints) Performing minimization step: 2715. Total energy = 3977.5564 kcal/mol (3967.7813 without restraints) Performing minimization step: 2716. Total energy = 3975.9702 kcal/mol (3966.1979 without restraints) Performing minimization step: 2717. Total energy = 3974.3862 kcal/mol (3964.6167 without restraints) Performing minimization step: 2718. Total energy = 3972.8037 kcal/mol (3963.0366 without restraints) Performing minimization step: 2719. Total energy = 3971.2224 kcal/mol (3961.4579 without restraints) Performing minimization step: 2720. Total energy = 3969.6423 kcal/mol (3959.8805 without restraints) Performing minimization step: 2721. Total energy = 3968.0645 kcal/mol (3958.3055 without restraints) Performing minimization step: 2722. Total energy = 3966.4879 kcal/mol (3956.7312 without restraints) Performing minimization step: 2723. Total energy = 3964.9122 kcal/mol (3955.1582 without restraints) Performing minimization step: 2724. Total energy = 3963.3381 kcal/mol (3953.5866 without restraints) Performing minimization step: 2725. Total energy = 3961.7648 kcal/mol (3952.0159 without restraints) Performing minimization step: 2726. Total energy = 3960.1935 kcal/mol (3950.4473 without restraints) Performing minimization step: 2727. Total energy = 3958.6232 kcal/mol (3948.8796 without restraints) Performing minimization step: 2728. Total energy = 3957.0544 kcal/mol (3947.3134 without restraints) Performing minimization step: 2729. Total energy = 3955.4872 kcal/mol (3945.7487 without restraints) Performing minimization step: 2730. Total energy = 3953.9213 kcal/mol (3944.1854 without restraints) Performing minimization step: 2731. Total energy = 3952.3567 kcal/mol (3942.6234 without restraints) Performing minimization step: 2732. Total energy = 3950.7933 kcal/mol (3941.0626 without restraints) Performing minimization step: 2733. Total energy = 3949.2316 kcal/mol (3939.5035 without restraints) Performing minimization step: 2734. Total energy = 3947.6708 kcal/mol (3937.9454 without restraints) Performing minimization step: 2735. Total energy = 3946.1119 kcal/mol (3936.3890 without restraints) Performing minimization step: 2736. Total energy = 3944.5542 kcal/mol (3934.8339 without restraints) Performing minimization step: 2737. Total energy = 3942.9983 kcal/mol (3933.2807 without restraints) Performing minimization step: 2738. Total energy = 3941.4436 kcal/mol (3931.7285 without restraints) Performing minimization step: 2739. Total energy = 3939.8904 kcal/mol (3930.1779 without restraints) Performing minimization step: 2740. Total energy = 3938.3384 kcal/mol (3928.6285 without restraints) Performing minimization step: 2741. Total energy = 3936.7879 kcal/mol (3927.0806 without restraints) Performing minimization step: 2742. Total energy = 3935.2388 kcal/mol (3925.5342 without restraints) Performing minimization step: 2743. Total energy = 3933.6911 kcal/mol (3923.9890 without restraints) Performing minimization step: 2744. Total energy = 3932.1445 kcal/mol (3922.4451 without restraints) Performing minimization step: 2745. Total energy = 3930.5999 kcal/mol (3920.9030 without restraints) Performing minimization step: 2746. Total energy = 3929.0561 kcal/mol (3919.3618 without restraints) Performing minimization step: 2747. Total energy = 3927.5141 kcal/mol (3917.8223 without restraints) Performing minimization step: 2748. Total energy = 3925.9731 kcal/mol (3916.2839 without restraints) Performing minimization step: 2749. Total energy = 3924.4337 kcal/mol (3914.7470 without restraints) Performing minimization step: 2750. Total energy = 3922.8955 kcal/mol (3913.2114 without restraints) Performing minimization step: 2751. Total energy = 3921.3587 kcal/mol (3911.6772 without restraints) Performing minimization step: 2752. Total energy = 3919.8232 kcal/mol (3910.1443 without restraints) Performing minimization step: 2753. Total energy = 3918.2889 kcal/mol (3908.6125 without restraints) Performing minimization step: 2754. Total energy = 3916.7562 kcal/mol (3907.0825 without restraints) Performing minimization step: 2755. Total energy = 3915.2251 kcal/mol (3905.5539 without restraints) Performing minimization step: 2756. Total energy = 3913.6959 kcal/mol (3904.0274 without restraints) Performing minimization step: 2757. Total energy = 3912.1682 kcal/mol (3902.5023 without restraints) Performing minimization step: 2758. Total energy = 3910.6409 kcal/mol (3900.9775 without restraints) Performing minimization step: 2759. Total energy = 3909.1147 kcal/mol (3899.4538 without restraints) Performing minimization step: 2760. Total energy = 3907.5912 kcal/mol (3897.9329 without restraints) Performing minimization step: 2761. Total energy = 3906.0678 kcal/mol (3896.4120 without restraints) Performing minimization step: 2762. Total energy = 3904.5458 kcal/mol (3894.8926 without restraints) Performing minimization step: 2763. Total energy = 3903.0250 kcal/mol (3893.3743 without restraints) Performing minimization step: 2764. Total energy = 3901.5057 kcal/mol (3891.8576 without restraints) Performing minimization step: 2765. Total energy = 3899.9880 kcal/mol (3890.3425 without restraints) Performing minimization step: 2766. Total energy = 3898.4716 kcal/mol (3888.8287 without restraints) Performing minimization step: 2767. Total energy = 3896.9565 kcal/mol (3887.3162 without restraints) Performing minimization step: 2768. Total energy = 3895.4426 kcal/mol (3885.8048 without restraints) Performing minimization step: 2769. Total energy = 3893.9295 kcal/mol (3884.2943 without restraints) Performing minimization step: 2770. Total energy = 3892.4183 kcal/mol (3882.7857 without restraints) Performing minimization step: 2771. Total energy = 3890.9086 kcal/mol (3881.2783 without restraints) Performing minimization step: 2772. Total energy = 3889.3997 kcal/mol (3879.7720 without restraints) Performing minimization step: 2773. Total energy = 3887.8928 kcal/mol (3878.2679 without restraints) Performing minimization step: 2774. Total energy = 3886.3873 kcal/mol (3876.7649 without restraints) Performing minimization step: 2775. Total energy = 3884.8827 kcal/mol (3875.2628 without restraints) Performing minimization step: 2776. Total energy = 3883.3798 kcal/mol (3873.7625 without restraints) Performing minimization step: 2777. Total energy = 3881.8785 kcal/mol (3872.2637 without restraints) Performing minimization step: 2778. Total energy = 3880.3778 kcal/mol (3870.7656 without restraints) Performing minimization step: 2779. Total energy = 3878.8786 kcal/mol (3869.2689 without restraints) Performing minimization step: 2780. Total energy = 3877.3811 kcal/mol (3867.7741 without restraints) Performing minimization step: 2781. Total energy = 3875.8845 kcal/mol (3866.2799 without restraints) Performing minimization step: 2782. Total energy = 3874.3891 kcal/mol (3864.7871 without restraints) Performing minimization step: 2783. Total energy = 3872.8953 kcal/mol (3863.2958 without restraints) Performing minimization step: 2784. Total energy = 3871.4023 kcal/mol (3861.8054 without restraints) Performing minimization step: 2785. Total energy = 3869.9110 kcal/mol (3860.3167 without restraints) Performing minimization step: 2786. Total energy = 3868.4210 kcal/mol (3858.8291 without restraints) Performing minimization step: 2787. Total energy = 3866.9325 kcal/mol (3857.3432 without restraints) Performing minimization step: 2788. Total energy = 3865.4451 kcal/mol (3855.8584 without restraints) Performing minimization step: 2789. Total energy = 3863.9589 kcal/mol (3854.3747 without restraints) Performing minimization step: 2790. Total energy = 3862.4739 kcal/mol (3852.8923 without restraints) Performing minimization step: 2791. Total energy = 3860.9906 kcal/mol (3851.4114 without restraints) Performing minimization step: 2792. Total energy = 3859.5084 kcal/mol (3849.9318 without restraints) Performing minimization step: 2793. Total energy = 3858.0279 kcal/mol (3848.4540 without restraints) Performing minimization step: 2794. Total energy = 3856.5485 kcal/mol (3846.9770 without restraints) Performing minimization step: 2795. Total energy = 3855.0701 kcal/mol (3845.5012 without restraints) Performing minimization step: 2796. Total energy = 3853.5934 kcal/mol (3844.0270 without restraints) Performing minimization step: 2797. Total energy = 3852.1176 kcal/mol (3842.5538 without restraints) Performing minimization step: 2798. Total energy = 3850.6432 kcal/mol (3841.0820 without restraints) Performing minimization step: 2799. Total energy = 3849.1700 kcal/mol (3839.6112 without restraints) Performing minimization step: 2800. Total energy = 3847.6982 kcal/mol (3838.1420 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2801. Total energy = 3846.2276 kcal/mol (3836.6739 without restraints) Performing minimization step: 2802. Total energy = 3844.7579 kcal/mol (3835.2067 without restraints) Performing minimization step: 2803. Total energy = 3843.2897 kcal/mol (3833.7410 without restraints) Performing minimization step: 2804. Total energy = 3841.8226 kcal/mol (3832.2764 without restraints) Performing minimization step: 2805. Total energy = 3840.3572 kcal/mol (3830.8135 without restraints) Performing minimization step: 2806. Total energy = 3838.8933 kcal/mol (3829.3522 without restraints) Performing minimization step: 2807. Total energy = 3837.4303 kcal/mol (3827.8917 without restraints) Performing minimization step: 2808. Total energy = 3835.9686 kcal/mol (3826.4327 without restraints) Performing minimization step: 2809. Total energy = 3834.5080 kcal/mol (3824.9745 without restraints) Performing minimization step: 2810. Total energy = 3833.0492 kcal/mol (3823.5182 without restraints) Performing minimization step: 2811. Total energy = 3831.5912 kcal/mol (3822.0627 without restraints) Performing minimization step: 2812. Total energy = 3830.1345 kcal/mol (3820.6086 without restraints) Performing minimization step: 2813. Total energy = 3828.6793 kcal/mol (3819.1559 without restraints) Performing minimization step: 2814. Total energy = 3827.2244 kcal/mol (3817.7035 without restraints) Performing minimization step: 2815. Total energy = 3825.7717 kcal/mol (3816.2533 without restraints) Performing minimization step: 2816. Total energy = 3824.3201 kcal/mol (3814.8042 without restraints) Performing minimization step: 2817. Total energy = 3822.8697 kcal/mol (3813.3564 without restraints) Performing minimization step: 2818. Total energy = 3821.4208 kcal/mol (3811.9099 without restraints) Performing minimization step: 2819. Total energy = 3819.9730 kcal/mol (3810.4647 without restraints) Performing minimization step: 2820. Total energy = 3818.5260 kcal/mol (3809.0202 without restraints) Performing minimization step: 2821. Total energy = 3817.0809 kcal/mol (3807.5776 without restraints) Performing minimization step: 2822. Total energy = 3815.6366 kcal/mol (3806.1359 without restraints) Performing minimization step: 2823. Total energy = 3814.1940 kcal/mol (3804.6957 without restraints) Performing minimization step: 2824. Total energy = 3812.7524 kcal/mol (3803.2567 without restraints) Performing minimization step: 2825. Total energy = 3811.3119 kcal/mol (3801.8186 without restraints) Performing minimization step: 2826. Total energy = 3809.8726 kcal/mol (3800.3816 without restraints) Performing minimization step: 2827. Total energy = 3808.4346 kcal/mol (3798.9464 without restraints) Performing minimization step: 2828. Total energy = 3806.9983 kcal/mol (3797.5127 without restraints) Performing minimization step: 2829. Total energy = 3805.5629 kcal/mol (3796.0795 without restraints) Performing minimization step: 2830. Total energy = 3804.1284 kcal/mol (3794.6476 without restraints) Performing minimization step: 2831. Total energy = 3802.6955 kcal/mol (3793.2173 without restraints) Performing minimization step: 2832. Total energy = 3801.2637 kcal/mol (3791.7881 without restraints) Performing minimization step: 2833. Total energy = 3799.8331 kcal/mol (3790.3597 without restraints) Performing minimization step: 2834. Total energy = 3798.4036 kcal/mol (3788.9329 without restraints) Performing minimization step: 2835. Total energy = 3796.9755 kcal/mol (3787.5073 without restraints) Performing minimization step: 2836. Total energy = 3795.5487 kcal/mol (3786.0830 without restraints) Performing minimization step: 2837. Total energy = 3794.1233 kcal/mol (3784.6602 without restraints) Performing minimization step: 2838. Total energy = 3792.6990 kcal/mol (3783.2383 without restraints) Performing minimization step: 2839. Total energy = 3791.2760 kcal/mol (3781.8176 without restraints) Performing minimization step: 2840. Total energy = 3789.8541 kcal/mol (3780.3982 without restraints) Performing minimization step: 2841. Total energy = 3788.4334 kcal/mol (3778.9802 without restraints) Performing minimization step: 2842. Total energy = 3787.0143 kcal/mol (3777.5638 without restraints) Performing minimization step: 2843. Total energy = 3785.5969 kcal/mol (3776.1486 without restraints) Performing minimization step: 2844. Total energy = 3784.1799 kcal/mol (3774.7343 without restraints) Performing minimization step: 2845. Total energy = 3782.7642 kcal/mol (3773.3209 without restraints) Performing minimization step: 2846. Total energy = 3781.3495 kcal/mol (3771.9088 without restraints) Performing minimization step: 2847. Total energy = 3779.9362 kcal/mol (3770.4979 without restraints) Performing minimization step: 2848. Total energy = 3778.5239 kcal/mol (3769.0881 without restraints) Performing minimization step: 2849. Total energy = 3777.1129 kcal/mol (3767.6796 without restraints) Performing minimization step: 2850. Total energy = 3775.7029 kcal/mol (3766.2721 without restraints) Performing minimization step: 2851. Total energy = 3774.2942 kcal/mol (3764.8659 without restraints) Performing minimization step: 2852. Total energy = 3772.8867 kcal/mol (3763.4608 without restraints) Performing minimization step: 2853. Total energy = 3771.4805 kcal/mol (3762.0571 without restraints) Performing minimization step: 2854. Total energy = 3770.0755 kcal/mol (3760.6545 without restraints) Performing minimization step: 2855. Total energy = 3768.6716 kcal/mol (3759.2531 without restraints) Performing minimization step: 2856. Total energy = 3767.2690 kcal/mol (3757.8532 without restraints) Performing minimization step: 2857. Total energy = 3765.8681 kcal/mol (3756.4546 without restraints) Performing minimization step: 2858. Total energy = 3764.4679 kcal/mol (3755.0570 without restraints) Performing minimization step: 2859. Total energy = 3763.0689 kcal/mol (3753.6604 without restraints) Performing minimization step: 2860. Total energy = 3761.6713 kcal/mol (3752.2653 without restraints) Performing minimization step: 2861. Total energy = 3760.2747 kcal/mol (3750.8711 without restraints) Performing minimization step: 2862. Total energy = 3758.8792 kcal/mol (3749.4781 without restraints) Performing minimization step: 2863. Total energy = 3757.4849 kcal/mol (3748.0863 without restraints) Performing minimization step: 2864. Total energy = 3756.0919 kcal/mol (3746.6957 without restraints) Performing minimization step: 2865. Total energy = 3754.6996 kcal/mol (3745.3057 without restraints) Performing minimization step: 2866. Total energy = 3753.3088 kcal/mol (3743.9176 without restraints) Performing minimization step: 2867. Total energy = 3751.9190 kcal/mol (3742.5303 without restraints) Performing minimization step: 2868. Total energy = 3750.5308 kcal/mol (3741.1444 without restraints) Performing minimization step: 2869. Total energy = 3749.1438 kcal/mol (3739.7600 without restraints) Performing minimization step: 2870. Total energy = 3747.7578 kcal/mol (3738.3764 without restraints) Performing minimization step: 2871. Total energy = 3746.3724 kcal/mol (3736.9936 without restraints) Performing minimization step: 2872. Total energy = 3744.9888 kcal/mol (3735.6125 without restraints) Performing minimization step: 2873. Total energy = 3743.6064 kcal/mol (3734.2324 without restraints) Performing minimization step: 2874. Total energy = 3742.2250 kcal/mol (3732.8535 without restraints) Performing minimization step: 2875. Total energy = 3740.8453 kcal/mol (3731.4763 without restraints) Performing minimization step: 2876. Total energy = 3739.4663 kcal/mol (3730.0997 without restraints) Performing minimization step: 2877. Total energy = 3738.0886 kcal/mol (3728.7245 without restraints) Performing minimization step: 2878. Total energy = 3736.7121 kcal/mol (3727.3504 without restraints) Performing minimization step: 2879. Total energy = 3735.3365 kcal/mol (3725.9772 without restraints) Performing minimization step: 2880. Total energy = 3733.9620 kcal/mol (3724.6052 without restraints) Performing minimization step: 2881. Total energy = 3732.5885 kcal/mol (3723.2342 without restraints) Performing minimization step: 2882. Total energy = 3731.2160 kcal/mol (3721.8641 without restraints) Performing minimization step: 2883. Total energy = 3729.8453 kcal/mol (3720.4959 without restraints) Performing minimization step: 2884. Total energy = 3728.4752 kcal/mol (3719.1283 without restraints) Performing minimization step: 2885. Total energy = 3727.1068 kcal/mol (3717.7623 without restraints) Performing minimization step: 2886. Total energy = 3725.7393 kcal/mol (3716.3973 without restraints) Performing minimization step: 2887. Total energy = 3724.3729 kcal/mol (3715.0334 without restraints) Performing minimization step: 2888. Total energy = 3723.0075 kcal/mol (3713.6703 without restraints) Performing minimization step: 2889. Total energy = 3721.6432 kcal/mol (3712.3084 without restraints) Performing minimization step: 2890. Total energy = 3720.2802 kcal/mol (3710.9479 without restraints) Performing minimization step: 2891. Total energy = 3718.9185 kcal/mol (3709.5886 without restraints) Performing minimization step: 2892. Total energy = 3717.5577 kcal/mol (3708.2303 without restraints) Performing minimization step: 2893. Total energy = 3716.1982 kcal/mol (3706.8733 without restraints) Performing minimization step: 2894. Total energy = 3714.8398 kcal/mol (3705.5173 without restraints) Performing minimization step: 2895. Total energy = 3713.4826 kcal/mol (3704.1627 without restraints) Performing minimization step: 2896. Total energy = 3712.1266 kcal/mol (3702.8090 without restraints) Performing minimization step: 2897. Total energy = 3710.7714 kcal/mol (3701.4562 without restraints) Performing minimization step: 2898. Total energy = 3709.4173 kcal/mol (3700.1047 without restraints) Performing minimization step: 2899. Total energy = 3708.0647 kcal/mol (3698.7546 without restraints) Performing minimization step: 2900. Total energy = 3706.7135 kcal/mol (3697.4056 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 2901. Total energy = 3705.3629 kcal/mol (3696.0574 without restraints) Performing minimization step: 2902. Total energy = 3704.0137 kcal/mol (3694.7107 without restraints) Performing minimization step: 2903. Total energy = 3702.6653 kcal/mol (3693.3646 without restraints) Performing minimization step: 2904. Total energy = 3701.3182 kcal/mol (3692.0201 without restraints) Performing minimization step: 2905. Total energy = 3699.9722 kcal/mol (3690.6767 without restraints) Performing minimization step: 2906. Total energy = 3698.6273 kcal/mol (3689.3340 without restraints) Performing minimization step: 2907. Total energy = 3697.2839 kcal/mol (3687.9933 without restraints) Performing minimization step: 2908. Total energy = 3695.9417 kcal/mol (3686.6533 without restraints) Performing minimization step: 2909. Total energy = 3694.6001 kcal/mol (3685.3142 without restraints) Performing minimization step: 2910. Total energy = 3693.2600 kcal/mol (3683.9764 without restraints) Performing minimization step: 2911. Total energy = 3691.9205 kcal/mol (3682.6394 without restraints) Performing minimization step: 2912. Total energy = 3690.5821 kcal/mol (3681.3033 without restraints) Performing minimization step: 2913. Total energy = 3689.2453 kcal/mol (3679.9690 without restraints) Performing minimization step: 2914. Total energy = 3687.9098 kcal/mol (3678.6359 without restraints) Performing minimization step: 2915. Total energy = 3686.5751 kcal/mol (3677.3037 without restraints) Performing minimization step: 2916. Total energy = 3685.2408 kcal/mol (3675.9716 without restraints) Performing minimization step: 2917. Total energy = 3683.9080 kcal/mol (3674.6416 without restraints) Performing minimization step: 2918. Total energy = 3682.5767 kcal/mol (3673.3125 without restraints) Performing minimization step: 2919. Total energy = 3681.2461 kcal/mol (3671.9844 without restraints) Performing minimization step: 2920. Total energy = 3679.9173 kcal/mol (3670.6580 without restraints) Performing minimization step: 2921. Total energy = 3678.5890 kcal/mol (3669.3321 without restraints) Performing minimization step: 2922. Total energy = 3677.2621 kcal/mol (3668.0076 without restraints) Performing minimization step: 2923. Total energy = 3675.9357 kcal/mol (3666.6837 without restraints) Performing minimization step: 2924. Total energy = 3674.6105 kcal/mol (3665.3608 without restraints) Performing minimization step: 2925. Total energy = 3673.2864 kcal/mol (3664.0392 without restraints) Performing minimization step: 2926. Total energy = 3671.9635 kcal/mol (3662.7186 without restraints) Performing minimization step: 2927. Total energy = 3670.6418 kcal/mol (3661.3995 without restraints) Performing minimization step: 2928. Total energy = 3669.3211 kcal/mol (3660.0811 without restraints) Performing minimization step: 2929. Total energy = 3668.0016 kcal/mol (3658.7640 without restraints) Performing minimization step: 2930. Total energy = 3666.6832 kcal/mol (3657.4481 without restraints) Performing minimization step: 2931. Total energy = 3665.3666 kcal/mol (3656.1339 without restraints) Performing minimization step: 2932. Total energy = 3664.0503 kcal/mol (3654.8199 without restraints) Performing minimization step: 2933. Total energy = 3662.7349 kcal/mol (3653.5069 without restraints) Performing minimization step: 2934. Total energy = 3661.4208 kcal/mol (3652.1952 without restraints) Performing minimization step: 2935. Total energy = 3660.1081 kcal/mol (3650.8849 without restraints) Performing minimization step: 2936. Total energy = 3658.7959 kcal/mol (3649.5751 without restraints) Performing minimization step: 2937. Total energy = 3657.4851 kcal/mol (3648.2667 without restraints) Performing minimization step: 2938. Total energy = 3656.1751 kcal/mol (3646.9591 without restraints) Performing minimization step: 2939. Total energy = 3654.8659 kcal/mol (3645.6523 without restraints) Performing minimization step: 2940. Total energy = 3653.5580 kcal/mol (3644.3468 without restraints) Performing minimization step: 2941. Total energy = 3652.2511 kcal/mol (3643.0423 without restraints) Performing minimization step: 2942. Total energy = 3650.9453 kcal/mol (3641.7389 without restraints) Performing minimization step: 2943. Total energy = 3649.6404 kcal/mol (3640.4364 without restraints) Performing minimization step: 2944. Total energy = 3648.3369 kcal/mol (3639.1353 without restraints) Performing minimization step: 2945. Total energy = 3647.0343 kcal/mol (3637.8351 without restraints) Performing minimization step: 2946. Total energy = 3645.7324 kcal/mol (3636.5356 without restraints) Performing minimization step: 2947. Total energy = 3644.4318 kcal/mol (3635.2374 without restraints) Performing minimization step: 2948. Total energy = 3643.1324 kcal/mol (3633.9405 without restraints) Performing minimization step: 2949. Total energy = 3641.8338 kcal/mol (3632.6442 without restraints) Performing minimization step: 2950. Total energy = 3640.5366 kcal/mol (3631.3493 without restraints) Performing minimization step: 2951. Total energy = 3639.2403 kcal/mol (3630.0554 without restraints) Performing minimization step: 2952. Total energy = 3637.9450 kcal/mol (3628.7625 without restraints) Performing minimization step: 2953. Total energy = 3636.6507 kcal/mol (3627.4706 without restraints) Performing minimization step: 2954. Total energy = 3635.3575 kcal/mol (3626.1797 without restraints) Performing minimization step: 2955. Total energy = 3634.0652 kcal/mol (3624.8899 without restraints) Performing minimization step: 2956. Total energy = 3632.7741 kcal/mol (3623.6011 without restraints) Performing minimization step: 2957. Total energy = 3631.4835 kcal/mol (3622.3129 without restraints) Performing minimization step: 2958. Total energy = 3630.1946 kcal/mol (3621.0264 without restraints) Performing minimization step: 2959. Total energy = 3628.9068 kcal/mol (3619.7410 without restraints) Performing minimization step: 2960. Total energy = 3627.6198 kcal/mol (3618.4563 without restraints) Performing minimization step: 2961. Total energy = 3626.3335 kcal/mol (3617.1725 without restraints) Performing minimization step: 2962. Total energy = 3625.0486 kcal/mol (3615.8899 without restraints) Performing minimization step: 2963. Total energy = 3623.7648 kcal/mol (3614.6083 without restraints) Performing minimization step: 2964. Total energy = 3622.4818 kcal/mol (3613.3280 without restraints) Performing minimization step: 2965. Total energy = 3621.2003 kcal/mol (3612.0488 without restraints) Performing minimization step: 2966. Total energy = 3619.9195 kcal/mol (3610.7704 without restraints) Performing minimization step: 2967. Total energy = 3618.6398 kcal/mol (3609.4930 without restraints) Performing minimization step: 2968. Total energy = 3617.3611 kcal/mol (3608.2169 without restraints) Performing minimization step: 2969. Total energy = 3616.0833 kcal/mol (3606.9411 without restraints) Performing minimization step: 2970. Total energy = 3614.8066 kcal/mol (3605.6669 without restraints) Performing minimization step: 2971. Total energy = 3613.5309 kcal/mol (3604.3935 without restraints) Performing minimization step: 2972. Total energy = 3612.2561 kcal/mol (3603.1211 without restraints) Performing minimization step: 2973. Total energy = 3610.9832 kcal/mol (3601.8508 without restraints) Performing minimization step: 2974. Total energy = 3609.7109 kcal/mol (3600.5806 without restraints) Performing minimization step: 2975. Total energy = 3608.4394 kcal/mol (3599.3115 without restraints) Performing minimization step: 2976. Total energy = 3607.1685 kcal/mol (3598.0429 without restraints) Performing minimization step: 2977. Total energy = 3605.8990 kcal/mol (3596.7759 without restraints) Performing minimization step: 2978. Total energy = 3604.6301 kcal/mol (3595.5093 without restraints) Performing minimization step: 2979. Total energy = 3603.3624 kcal/mol (3594.2439 without restraints) Performing minimization step: 2980. Total energy = 3602.0954 kcal/mol (3592.9792 without restraints) Performing minimization step: 2981. Total energy = 3600.8297 kcal/mol (3591.7159 without restraints) Performing minimization step: 2982. Total energy = 3599.5654 kcal/mol (3590.4540 without restraints) Performing minimization step: 2983. Total energy = 3598.3020 kcal/mol (3589.1930 without restraints) Performing minimization step: 2984. Total energy = 3597.0393 kcal/mol (3587.9326 without restraints) Performing minimization step: 2985. Total energy = 3595.7777 kcal/mol (3586.6734 without restraints) Performing minimization step: 2986. Total energy = 3594.5173 kcal/mol (3585.4154 without restraints) Performing minimization step: 2987. Total energy = 3593.2584 kcal/mol (3584.1589 without restraints) Performing minimization step: 2988. Total energy = 3592.0002 kcal/mol (3582.9029 without restraints) Performing minimization step: 2989. Total energy = 3590.7427 kcal/mol (3581.6477 without restraints) Performing minimization step: 2990. Total energy = 3589.4865 kcal/mol (3580.3941 without restraints) Performing minimization step: 2991. Total energy = 3588.2315 kcal/mol (3579.1414 without restraints) Performing minimization step: 2992. Total energy = 3586.9766 kcal/mol (3577.8887 without restraints) Performing minimization step: 2993. Total energy = 3585.7228 kcal/mol (3576.6372 without restraints) Performing minimization step: 2994. Total energy = 3584.4698 kcal/mol (3575.3865 without restraints) Performing minimization step: 2995. Total energy = 3583.2183 kcal/mol (3574.1375 without restraints) Performing minimization step: 2996. Total energy = 3581.9675 kcal/mol (3572.8890 without restraints) Performing minimization step: 2997. Total energy = 3580.7184 kcal/mol (3571.6423 without restraints) Performing minimization step: 2998. Total energy = 3579.4694 kcal/mol (3570.3955 without restraints) Performing minimization step: 2999. Total energy = 3578.2214 kcal/mol (3569.1499 without restraints) Performing minimization step: 3000. Total energy = 3576.9741 kcal/mol (3567.9046 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3001. Total energy = 3575.7273 kcal/mol (3566.6604 without restraints) Performing minimization step: 3002. Total energy = 3574.4821 kcal/mol (3565.4175 without restraints) Performing minimization step: 3003. Total energy = 3573.2379 kcal/mol (3564.1757 without restraints) Performing minimization step: 3004. Total energy = 3571.9948 kcal/mol (3562.9349 without restraints) Performing minimization step: 3005. Total energy = 3570.7526 kcal/mol (3561.6951 without restraints) Performing minimization step: 3006. Total energy = 3569.5115 kcal/mol (3560.4563 without restraints) Performing minimization step: 3007. Total energy = 3568.2713 kcal/mol (3559.2185 without restraints) Performing minimization step: 3008. Total energy = 3567.0323 kcal/mol (3557.9817 without restraints) Performing minimization step: 3009. Total energy = 3565.7936 kcal/mol (3556.7455 without restraints) Performing minimization step: 3010. Total energy = 3564.5565 kcal/mol (3555.5108 without restraints) Performing minimization step: 3011. Total energy = 3563.3201 kcal/mol (3554.2766 without restraints) Performing minimization step: 3012. Total energy = 3562.0847 kcal/mol (3553.0435 without restraints) Performing minimization step: 3013. Total energy = 3560.8505 kcal/mol (3551.8117 without restraints) Performing minimization step: 3014. Total energy = 3559.6166 kcal/mol (3550.5800 without restraints) Performing minimization step: 3015. Total energy = 3558.3842 kcal/mol (3549.3499 without restraints) Performing minimization step: 3016. Total energy = 3557.1528 kcal/mol (3548.1208 without restraints) Performing minimization step: 3017. Total energy = 3555.9222 kcal/mol (3546.8927 without restraints) Performing minimization step: 3018. Total energy = 3554.6927 kcal/mol (3545.6654 without restraints) Performing minimization step: 3019. Total energy = 3553.4640 kcal/mol (3544.4390 without restraints) Performing minimization step: 3020. Total energy = 3552.2359 kcal/mol (3543.2132 without restraints) Performing minimization step: 3021. Total energy = 3551.0089 kcal/mol (3541.9886 without restraints) Performing minimization step: 3022. Total energy = 3549.7832 kcal/mol (3540.7651 without restraints) Performing minimization step: 3023. Total energy = 3548.5584 kcal/mol (3539.5427 without restraints) Performing minimization step: 3024. Total energy = 3547.3349 kcal/mol (3538.3216 without restraints) Performing minimization step: 3025. Total energy = 3546.1117 kcal/mol (3537.1006 without restraints) Performing minimization step: 3026. Total energy = 3544.8893 kcal/mol (3535.8806 without restraints) Performing minimization step: 3027. Total energy = 3543.6681 kcal/mol (3534.6617 without restraints) Performing minimization step: 3028. Total energy = 3542.4481 kcal/mol (3533.4439 without restraints) Performing minimization step: 3029. Total energy = 3541.2289 kcal/mol (3532.2270 without restraints) Performing minimization step: 3030. Total energy = 3540.0109 kcal/mol (3531.0114 without restraints) Performing minimization step: 3031. Total energy = 3538.7937 kcal/mol (3529.7965 without restraints) Performing minimization step: 3032. Total energy = 3537.5773 kcal/mol (3528.5824 without restraints) Performing minimization step: 3033. Total energy = 3536.3618 kcal/mol (3527.3692 without restraints) Performing minimization step: 3034. Total energy = 3535.1469 kcal/mol (3526.1566 without restraints) Performing minimization step: 3035. Total energy = 3533.9333 kcal/mol (3524.9454 without restraints) Performing minimization step: 3036. Total energy = 3532.7204 kcal/mol (3523.7346 without restraints) Performing minimization step: 3037. Total energy = 3531.5084 kcal/mol (3522.5250 without restraints) Performing minimization step: 3038. Total energy = 3530.2974 kcal/mol (3521.3162 without restraints) Performing minimization step: 3039. Total energy = 3529.0875 kcal/mol (3520.1087 without restraints) Performing minimization step: 3040. Total energy = 3527.8783 kcal/mol (3518.9018 without restraints) Performing minimization step: 3041. Total energy = 3526.6704 kcal/mol (3517.6962 without restraints) Performing minimization step: 3042. Total energy = 3525.4632 kcal/mol (3516.4913 without restraints) Performing minimization step: 3043. Total energy = 3524.2564 kcal/mol (3515.2867 without restraints) Performing minimization step: 3044. Total energy = 3523.0507 kcal/mol (3514.0835 without restraints) Performing minimization step: 3045. Total energy = 3521.8468 kcal/mol (3512.8819 without restraints) Performing minimization step: 3046. Total energy = 3520.6432 kcal/mol (3511.6805 without restraints) Performing minimization step: 3047. Total energy = 3519.4406 kcal/mol (3510.4802 without restraints) Performing minimization step: 3048. Total energy = 3518.2387 kcal/mol (3509.2806 without restraints) Performing minimization step: 3049. Total energy = 3517.0380 kcal/mol (3508.0821 without restraints) Performing minimization step: 3050. Total energy = 3515.8382 kcal/mol (3506.8847 without restraints) Performing minimization step: 3051. Total energy = 3514.6394 kcal/mol (3505.6882 without restraints) Performing minimization step: 3052. Total energy = 3513.4419 kcal/mol (3504.4928 without restraints) Performing minimization step: 3053. Total energy = 3512.2451 kcal/mol (3503.2983 without restraints) Performing minimization step: 3054. Total energy = 3511.0489 kcal/mol (3502.1043 without restraints) Performing minimization step: 3055. Total energy = 3509.8537 kcal/mol (3500.9115 without restraints) Performing minimization step: 3056. Total energy = 3508.6591 kcal/mol (3499.7193 without restraints) Performing minimization step: 3057. Total energy = 3507.4651 kcal/mol (3498.5273 without restraints) Performing minimization step: 3058. Total energy = 3506.2720 kcal/mol (3497.3366 without restraints) Performing minimization step: 3059. Total energy = 3505.0799 kcal/mol (3496.1468 without restraints) Performing minimization step: 3060. Total energy = 3503.8890 kcal/mol (3494.9582 without restraints) Performing minimization step: 3061. Total energy = 3502.6988 kcal/mol (3493.7703 without restraints) Performing minimization step: 3062. Total energy = 3501.5095 kcal/mol (3492.5833 without restraints) Performing minimization step: 3063. Total energy = 3500.3213 kcal/mol (3491.3973 without restraints) Performing minimization step: 3064. Total energy = 3499.1338 kcal/mol (3490.2122 without restraints) Performing minimization step: 3065. Total energy = 3497.9474 kcal/mol (3489.0280 without restraints) Performing minimization step: 3066. Total energy = 3496.7613 kcal/mol (3487.8442 without restraints) Performing minimization step: 3067. Total energy = 3495.5767 kcal/mol (3486.6618 without restraints) Performing minimization step: 3068. Total energy = 3494.3936 kcal/mol (3485.4810 without restraints) Performing minimization step: 3069. Total energy = 3493.2107 kcal/mol (3484.3004 without restraints) Performing minimization step: 3070. Total energy = 3492.0284 kcal/mol (3483.1204 without restraints) Performing minimization step: 3071. Total energy = 3490.8468 kcal/mol (3481.9411 without restraints) Performing minimization step: 3072. Total energy = 3489.6665 kcal/mol (3480.7630 without restraints) Performing minimization step: 3073. Total energy = 3488.4871 kcal/mol (3479.5859 without restraints) Performing minimization step: 3074. Total energy = 3487.3083 kcal/mol (3478.4093 without restraints) Performing minimization step: 3075. Total energy = 3486.1305 kcal/mol (3477.2338 without restraints) Performing minimization step: 3076. Total energy = 3484.9537 kcal/mol (3476.0593 without restraints) Performing minimization step: 3077. Total energy = 3483.7775 kcal/mol (3474.8852 without restraints) Performing minimization step: 3078. Total energy = 3482.6022 kcal/mol (3473.7123 without restraints) Performing minimization step: 3079. Total energy = 3481.4278 kcal/mol (3472.5401 without restraints) Performing minimization step: 3080. Total energy = 3480.2543 kcal/mol (3471.3688 without restraints) Performing minimization step: 3081. Total energy = 3479.0816 kcal/mol (3470.1984 without restraints) Performing minimization step: 3082. Total energy = 3477.9098 kcal/mol (3469.0289 without restraints) Performing minimization step: 3083. Total energy = 3476.7387 kcal/mol (3467.8600 without restraints) Performing minimization step: 3084. Total energy = 3475.5688 kcal/mol (3466.6924 without restraints) Performing minimization step: 3085. Total energy = 3474.3993 kcal/mol (3465.5249 without restraints) Performing minimization step: 3086. Total energy = 3473.2307 kcal/mol (3464.3588 without restraints) Performing minimization step: 3087. Total energy = 3472.0637 kcal/mol (3463.1941 without restraints) Performing minimization step: 3088. Total energy = 3470.8972 kcal/mol (3462.0298 without restraints) Performing minimization step: 3089. Total energy = 3469.7314 kcal/mol (3460.8662 without restraints) Performing minimization step: 3090. Total energy = 3468.5671 kcal/mol (3459.7042 without restraints) Performing minimization step: 3091. Total energy = 3467.4033 kcal/mol (3458.5427 without restraints) Performing minimization step: 3092. Total energy = 3466.2397 kcal/mol (3457.3813 without restraints) Performing minimization step: 3093. Total energy = 3465.0773 kcal/mol (3456.2212 without restraints) Performing minimization step: 3094. Total energy = 3463.9165 kcal/mol (3455.0625 without restraints) Performing minimization step: 3095. Total energy = 3462.7560 kcal/mol (3453.9043 without restraints) Performing minimization step: 3096. Total energy = 3461.5960 kcal/mol (3452.7465 without restraints) Performing minimization step: 3097. Total energy = 3460.4372 kcal/mol (3451.5901 without restraints) Performing minimization step: 3098. Total energy = 3459.2793 kcal/mol (3450.4344 without restraints) Performing minimization step: 3099. Total energy = 3458.1219 kcal/mol (3449.2790 without restraints) Performing minimization step: 3100. Total energy = 3456.9657 kcal/mol (3448.1253 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3101. Total energy = 3455.8104 kcal/mol (3446.9722 without restraints) Performing minimization step: 3102. Total energy = 3454.6557 kcal/mol (3445.8197 without restraints) Performing minimization step: 3103. Total energy = 3453.5018 kcal/mol (3444.6680 without restraints) Performing minimization step: 3104. Total energy = 3452.3487 kcal/mol (3443.5172 without restraints) Performing minimization step: 3105. Total energy = 3451.1969 kcal/mol (3442.3676 without restraints) Performing minimization step: 3106. Total energy = 3450.0455 kcal/mol (3441.2183 without restraints) Performing minimization step: 3107. Total energy = 3448.8949 kcal/mol (3440.0700 without restraints) Performing minimization step: 3108. Total energy = 3447.7452 kcal/mol (3438.9226 without restraints) Performing minimization step: 3109. Total energy = 3446.5964 kcal/mol (3437.7760 without restraints) Performing minimization step: 3110. Total energy = 3445.4485 kcal/mol (3436.6305 without restraints) Performing minimization step: 3111. Total energy = 3444.3017 kcal/mol (3435.4857 without restraints) Performing minimization step: 3112. Total energy = 3443.1553 kcal/mol (3434.3416 without restraints) Performing minimization step: 3113. Total energy = 3442.0099 kcal/mol (3433.1985 without restraints) Performing minimization step: 3114. Total energy = 3440.8653 kcal/mol (3432.0560 without restraints) Performing minimization step: 3115. Total energy = 3439.7212 kcal/mol (3430.9142 without restraints) Performing minimization step: 3116. Total energy = 3438.5786 kcal/mol (3429.7738 without restraints) Performing minimization step: 3117. Total energy = 3437.4363 kcal/mol (3428.6337 without restraints) Performing minimization step: 3118. Total energy = 3436.2947 kcal/mol (3427.4943 without restraints) Performing minimization step: 3119. Total energy = 3435.1542 kcal/mol (3426.3561 without restraints) Performing minimization step: 3120. Total energy = 3434.0150 kcal/mol (3425.2191 without restraints) Performing minimization step: 3121. Total energy = 3432.8759 kcal/mol (3424.0822 without restraints) Performing minimization step: 3122. Total energy = 3431.7383 kcal/mol (3422.9467 without restraints) Performing minimization step: 3123. Total energy = 3430.6011 kcal/mol (3421.8117 without restraints) Performing minimization step: 3124. Total energy = 3429.4645 kcal/mol (3420.6774 without restraints) Performing minimization step: 3125. Total energy = 3428.3291 kcal/mol (3419.5442 without restraints) Performing minimization step: 3126. Total energy = 3427.1941 kcal/mol (3418.4114 without restraints) Performing minimization step: 3127. Total energy = 3426.0601 kcal/mol (3417.2798 without restraints) Performing minimization step: 3128. Total energy = 3424.9269 kcal/mol (3416.1484 without restraints) Performing minimization step: 3129. Total energy = 3423.7946 kcal/mol (3415.0187 without restraints) Performing minimization step: 3130. Total energy = 3422.6635 kcal/mol (3413.8897 without restraints) Performing minimization step: 3131. Total energy = 3421.5328 kcal/mol (3412.7613 without restraints) Performing minimization step: 3132. Total energy = 3420.4031 kcal/mol (3411.6337 without restraints) Performing minimization step: 3133. Total energy = 3419.2740 kcal/mol (3410.5068 without restraints) Performing minimization step: 3134. Total energy = 3418.1459 kcal/mol (3409.3809 without restraints) Performing minimization step: 3135. Total energy = 3417.0185 kcal/mol (3408.2557 without restraints) Performing minimization step: 3136. Total energy = 3415.8920 kcal/mol (3407.1314 without restraints) Performing minimization step: 3137. Total energy = 3414.7664 kcal/mol (3406.0081 without restraints) Performing minimization step: 3138. Total energy = 3413.6415 kcal/mol (3404.8854 without restraints) Performing minimization step: 3139. Total energy = 3412.5172 kcal/mol (3403.7632 without restraints) Performing minimization step: 3140. Total energy = 3411.3940 kcal/mol (3402.6422 without restraints) Performing minimization step: 3141. Total energy = 3410.2713 kcal/mol (3401.5217 without restraints) Performing minimization step: 3142. Total energy = 3409.1497 kcal/mol (3400.4023 without restraints) Performing minimization step: 3143. Total energy = 3408.0286 kcal/mol (3399.2834 without restraints) Performing minimization step: 3144. Total energy = 3406.9083 kcal/mol (3398.1653 without restraints) Performing minimization step: 3145. Total energy = 3405.7888 kcal/mol (3397.0480 without restraints) Performing minimization step: 3146. Total energy = 3404.6701 kcal/mol (3395.9316 without restraints) Performing minimization step: 3147. Total energy = 3403.5524 kcal/mol (3394.8161 without restraints) Performing minimization step: 3148. Total energy = 3402.4357 kcal/mol (3393.7016 without restraints) Performing minimization step: 3149. Total energy = 3401.3196 kcal/mol (3392.5876 without restraints) Performing minimization step: 3150. Total energy = 3400.2039 kcal/mol (3391.4740 without restraints) Performing minimization step: 3151. Total energy = 3399.0893 kcal/mol (3390.3617 without restraints) Performing minimization step: 3152. Total energy = 3397.9755 kcal/mol (3389.2500 without restraints) Performing minimization step: 3153. Total energy = 3396.8622 kcal/mol (3388.1389 without restraints) Performing minimization step: 3154. Total energy = 3395.7502 kcal/mol (3387.0294 without restraints) Performing minimization step: 3155. Total energy = 3394.6392 kcal/mol (3385.9202 without restraints) Performing minimization step: 3156. Total energy = 3393.5286 kcal/mol (3384.8120 without restraints) Performing minimization step: 3157. Total energy = 3392.4190 kcal/mol (3383.7046 without restraints) Performing minimization step: 3158. Total energy = 3391.3099 kcal/mol (3382.5977 without restraints) Performing minimization step: 3159. Total energy = 3390.2015 kcal/mol (3381.4912 without restraints) Performing minimization step: 3160. Total energy = 3389.0943 kcal/mol (3380.3863 without restraints) Performing minimization step: 3161. Total energy = 3387.9875 kcal/mol (3379.2817 without restraints) Performing minimization step: 3162. Total energy = 3386.8815 kcal/mol (3378.1778 without restraints) Performing minimization step: 3163. Total energy = 3385.7762 kcal/mol (3377.0747 without restraints) Performing minimization step: 3164. Total energy = 3384.6717 kcal/mol (3375.9724 without restraints) Performing minimization step: 3165. Total energy = 3383.5681 kcal/mol (3374.8710 without restraints) Performing minimization step: 3166. Total energy = 3382.4659 kcal/mol (3373.7710 without restraints) Performing minimization step: 3167. Total energy = 3381.3638 kcal/mol (3372.6710 without restraints) Performing minimization step: 3168. Total energy = 3380.2626 kcal/mol (3371.5721 without restraints) Performing minimization step: 3169. Total energy = 3379.1621 kcal/mol (3370.4736 without restraints) Performing minimization step: 3170. Total energy = 3378.0625 kcal/mol (3369.3765 without restraints) Performing minimization step: 3171. Total energy = 3376.9638 kcal/mol (3368.2797 without restraints) Performing minimization step: 3172. Total energy = 3375.8655 kcal/mol (3367.1836 without restraints) Performing minimization step: 3173. Total energy = 3374.7679 kcal/mol (3366.0881 without restraints) Performing minimization step: 3174. Total energy = 3373.6711 kcal/mol (3364.9935 without restraints) Performing minimization step: 3175. Total energy = 3372.5761 kcal/mol (3363.9007 without restraints) Performing minimization step: 3176. Total energy = 3371.4816 kcal/mol (3362.8084 without restraints) Performing minimization step: 3177. Total energy = 3370.3877 kcal/mol (3361.7165 without restraints) Performing minimization step: 3178. Total energy = 3369.2940 kcal/mol (3360.6251 without restraints) Performing minimization step: 3179. Total energy = 3368.2012 kcal/mol (3359.5344 without restraints) Performing minimization step: 3180. Total energy = 3367.1090 kcal/mol (3358.4444 without restraints) Performing minimization step: 3181. Total energy = 3366.0181 kcal/mol (3357.3556 without restraints) Performing minimization step: 3182. Total energy = 3364.9277 kcal/mol (3356.2675 without restraints) Performing minimization step: 3183. Total energy = 3363.8383 kcal/mol (3355.1803 without restraints) Performing minimization step: 3184. Total energy = 3362.7493 kcal/mol (3354.0934 without restraints) Performing minimization step: 3185. Total energy = 3361.6618 kcal/mol (3353.0080 without restraints) Performing minimization step: 3186. Total energy = 3360.5745 kcal/mol (3351.9229 without restraints) Performing minimization step: 3187. Total energy = 3359.4879 kcal/mol (3350.8384 without restraints) Performing minimization step: 3188. Total energy = 3358.4018 kcal/mol (3349.7544 without restraints) Performing minimization step: 3189. Total energy = 3357.3165 kcal/mol (3348.6713 without restraints) Performing minimization step: 3190. Total energy = 3356.2322 kcal/mol (3347.5892 without restraints) Performing minimization step: 3191. Total energy = 3355.1483 kcal/mol (3346.5073 without restraints) Performing minimization step: 3192. Total energy = 3354.0654 kcal/mol (3345.4266 without restraints) Performing minimization step: 3193. Total energy = 3352.9833 kcal/mol (3344.3466 without restraints) Performing minimization step: 3194. Total energy = 3351.9018 kcal/mol (3343.2673 without restraints) Performing minimization step: 3195. Total energy = 3350.8214 kcal/mol (3342.1891 without restraints) Performing minimization step: 3196. Total energy = 3349.7415 kcal/mol (3341.1113 without restraints) Performing minimization step: 3197. Total energy = 3348.6620 kcal/mol (3340.0338 without restraints) Performing minimization step: 3198. Total energy = 3347.5839 kcal/mol (3338.9580 without restraints) Performing minimization step: 3199. Total energy = 3346.5061 kcal/mol (3337.8823 without restraints) Performing minimization step: 3200. Total energy = 3345.4292 kcal/mol (3336.8076 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3201. Total energy = 3344.3528 kcal/mol (3335.7334 without restraints) Performing minimization step: 3202. Total energy = 3343.2782 kcal/mol (3334.6610 without restraints) Performing minimization step: 3203. Total energy = 3342.2038 kcal/mol (3333.5886 without restraints) Performing minimization step: 3204. Total energy = 3341.1297 kcal/mol (3332.5166 without restraints) Performing minimization step: 3205. Total energy = 3340.0565 kcal/mol (3331.4455 without restraints) Performing minimization step: 3206. Total energy = 3338.9840 kcal/mol (3330.3752 without restraints) Performing minimization step: 3207. Total energy = 3337.9127 kcal/mol (3329.3060 without restraints) Performing minimization step: 3208. Total energy = 3336.8416 kcal/mol (3328.2371 without restraints) Performing minimization step: 3209. Total energy = 3335.7713 kcal/mol (3327.1690 without restraints) Performing minimization step: 3210. Total energy = 3334.7020 kcal/mol (3326.1017 without restraints) Performing minimization step: 3211. Total energy = 3333.6334 kcal/mol (3325.0353 without restraints) Performing minimization step: 3212. Total energy = 3332.5656 kcal/mol (3323.9696 without restraints) Performing minimization step: 3213. Total energy = 3331.4987 kcal/mol (3322.9048 without restraints) Performing minimization step: 3214. Total energy = 3330.4324 kcal/mol (3321.8407 without restraints) Performing minimization step: 3215. Total energy = 3329.3670 kcal/mol (3320.7775 without restraints) Performing minimization step: 3216. Total energy = 3328.3024 kcal/mol (3319.7150 without restraints) Performing minimization step: 3217. Total energy = 3327.2382 kcal/mol (3318.6529 without restraints) Performing minimization step: 3218. Total energy = 3326.1748 kcal/mol (3317.5918 without restraints) Performing minimization step: 3219. Total energy = 3325.1123 kcal/mol (3316.5312 without restraints) Performing minimization step: 3220. Total energy = 3324.0506 kcal/mol (3315.4716 without restraints) Performing minimization step: 3221. Total energy = 3322.9895 kcal/mol (3314.4126 without restraints) Performing minimization step: 3222. Total energy = 3321.9289 kcal/mol (3313.3542 without restraints) Performing minimization step: 3223. Total energy = 3320.8693 kcal/mol (3312.2967 without restraints) Performing minimization step: 3224. Total energy = 3319.8106 kcal/mol (3311.2401 without restraints) Performing minimization step: 3225. Total energy = 3318.7525 kcal/mol (3310.1841 without restraints) Performing minimization step: 3226. Total energy = 3317.6951 kcal/mol (3309.1288 without restraints) Performing minimization step: 3227. Total energy = 3316.6386 kcal/mol (3308.0744 without restraints) Performing minimization step: 3228. Total energy = 3315.5824 kcal/mol (3307.0203 without restraints) Performing minimization step: 3229. Total energy = 3314.5270 kcal/mol (3305.9671 without restraints) Performing minimization step: 3230. Total energy = 3313.4726 kcal/mol (3304.9147 without restraints) Performing minimization step: 3231. Total energy = 3312.4189 kcal/mol (3303.8632 without restraints) Performing minimization step: 3232. Total energy = 3311.3660 kcal/mol (3302.8124 without restraints) Performing minimization step: 3233. Total energy = 3310.3137 kcal/mol (3301.7622 without restraints) Performing minimization step: 3234. Total energy = 3309.2625 kcal/mol (3300.7131 without restraints) Performing minimization step: 3235. Total energy = 3308.2112 kcal/mol (3299.6640 without restraints) Performing minimization step: 3236. Total energy = 3307.1613 kcal/mol (3298.6161 without restraints) Performing minimization step: 3237. Total energy = 3306.1111 kcal/mol (3297.5682 without restraints) Performing minimization step: 3238. Total energy = 3305.0623 kcal/mol (3296.5212 without restraints) Performing minimization step: 3239. Total energy = 3304.0141 kcal/mol (3295.4753 without restraints) Performing minimization step: 3240. Total energy = 3302.9669 kcal/mol (3294.4302 without restraints) Performing minimization step: 3241. Total energy = 3301.9206 kcal/mol (3293.3862 without restraints) Performing minimization step: 3242. Total energy = 3300.8749 kcal/mol (3292.3423 without restraints) Performing minimization step: 3243. Total energy = 3299.8297 kcal/mol (3291.2994 without restraints) Performing minimization step: 3244. Total energy = 3298.7864 kcal/mol (3290.2583 without restraints) Performing minimization step: 3245. Total energy = 3297.7430 kcal/mol (3289.2168 without restraints) Performing minimization step: 3246. Total energy = 3296.7000 kcal/mol (3288.1759 without restraints) Performing minimization step: 3247. Total energy = 3295.6574 kcal/mol (3287.1354 without restraints) Performing minimization step: 3248. Total energy = 3294.6159 kcal/mol (3286.0959 without restraints) Performing minimization step: 3249. Total energy = 3293.5748 kcal/mol (3285.0570 without restraints) Performing minimization step: 3250. Total energy = 3292.5345 kcal/mol (3284.0189 without restraints) Performing minimization step: 3251. Total energy = 3291.4952 kcal/mol (3282.9816 without restraints) Performing minimization step: 3252. Total energy = 3290.4565 kcal/mol (3281.9449 without restraints) Performing minimization step: 3253. Total energy = 3289.4187 kcal/mol (3280.9093 without restraints) Performing minimization step: 3254. Total energy = 3288.3818 kcal/mol (3279.8745 without restraints) Performing minimization step: 3255. Total energy = 3287.3455 kcal/mol (3278.8402 without restraints) Performing minimization step: 3256. Total energy = 3286.3096 kcal/mol (3277.8064 without restraints) Performing minimization step: 3257. Total energy = 3285.2749 kcal/mol (3276.7738 without restraints) Performing minimization step: 3258. Total energy = 3284.2404 kcal/mol (3275.7413 without restraints) Performing minimization step: 3259. Total energy = 3283.2064 kcal/mol (3274.7095 without restraints) Performing minimization step: 3260. Total energy = 3282.1733 kcal/mol (3273.6785 without restraints) Performing minimization step: 3261. Total energy = 3281.1410 kcal/mol (3272.6483 without restraints) Performing minimization step: 3262. Total energy = 3280.1094 kcal/mol (3271.6187 without restraints) Performing minimization step: 3263. Total energy = 3279.0785 kcal/mol (3270.5899 without restraints) Performing minimization step: 3264. Total energy = 3278.0482 kcal/mol (3269.5617 without restraints) Performing minimization step: 3265. Total energy = 3277.0186 kcal/mol (3268.5340 without restraints) Performing minimization step: 3266. Total energy = 3275.9897 kcal/mol (3267.5074 without restraints) Performing minimization step: 3267. Total energy = 3274.9615 kcal/mol (3266.4812 without restraints) Performing minimization step: 3268. Total energy = 3273.9347 kcal/mol (3265.4565 without restraints) Performing minimization step: 3269. Total energy = 3272.9080 kcal/mol (3264.4318 without restraints) Performing minimization step: 3270. Total energy = 3271.8822 kcal/mol (3263.4083 without restraints) Performing minimization step: 3271. Total energy = 3270.8572 kcal/mol (3262.3853 without restraints) Performing minimization step: 3272. Total energy = 3269.8330 kcal/mol (3261.3631 without restraints) Performing minimization step: 3273. Total energy = 3268.8092 kcal/mol (3260.3415 without restraints) Performing minimization step: 3274. Total energy = 3267.7867 kcal/mol (3259.3210 without restraints) Performing minimization step: 3275. Total energy = 3266.7639 kcal/mol (3258.3003 without restraints) Performing minimization step: 3276. Total energy = 3265.7424 kcal/mol (3257.2808 without restraints) Performing minimization step: 3277. Total energy = 3264.7218 kcal/mol (3256.2623 without restraints) Performing minimization step: 3278. Total energy = 3263.7023 kcal/mol (3255.2449 without restraints) Performing minimization step: 3279. Total energy = 3262.6829 kcal/mol (3254.2275 without restraints) Performing minimization step: 3280. Total energy = 3261.6639 kcal/mol (3253.2106 without restraints) Performing minimization step: 3281. Total energy = 3260.6456 kcal/mol (3252.1944 without restraints) Performing minimization step: 3282. Total energy = 3259.6285 kcal/mol (3251.1794 without restraints) Performing minimization step: 3283. Total energy = 3258.6118 kcal/mol (3250.1647 without restraints) Performing minimization step: 3284. Total energy = 3257.5955 kcal/mol (3249.1504 without restraints) Performing minimization step: 3285. Total energy = 3256.5801 kcal/mol (3248.1371 without restraints) Performing minimization step: 3286. Total energy = 3255.5655 kcal/mol (3247.1246 without restraints) Performing minimization step: 3287. Total energy = 3254.5513 kcal/mol (3246.1124 without restraints) Performing minimization step: 3288. Total energy = 3253.5376 kcal/mol (3245.1007 without restraints) Performing minimization step: 3289. Total energy = 3252.5249 kcal/mol (3244.0901 without restraints) Performing minimization step: 3290. Total energy = 3251.5130 kcal/mol (3243.0805 without restraints) Performing minimization step: 3291. Total energy = 3250.5018 kcal/mol (3242.0711 without restraints) Performing minimization step: 3292. Total energy = 3249.4912 kcal/mol (3241.0627 without restraints) Performing minimization step: 3293. Total energy = 3248.4819 kcal/mol (3240.0554 without restraints) Performing minimization step: 3294. Total energy = 3247.4729 kcal/mol (3239.0485 without restraints) Performing minimization step: 3295. Total energy = 3246.4645 kcal/mol (3238.0422 without restraints) Performing minimization step: 3296. Total energy = 3245.4569 kcal/mol (3237.0365 without restraints) Performing minimization step: 3297. Total energy = 3244.4502 kcal/mol (3236.0321 without restraints) Performing minimization step: 3298. Total energy = 3243.4441 kcal/mol (3235.0278 without restraints) Performing minimization step: 3299. Total energy = 3242.4384 kcal/mol (3234.0243 without restraints) Performing minimization step: 3300. Total energy = 3241.4332 kcal/mol (3233.0211 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3301. Total energy = 3240.4288 kcal/mol (3232.0188 without restraints) Performing minimization step: 3302. Total energy = 3239.4257 kcal/mol (3231.0176 without restraints) Performing minimization step: 3303. Total energy = 3238.4232 kcal/mol (3230.0172 without restraints) Performing minimization step: 3304. Total energy = 3237.4207 kcal/mol (3229.0167 without restraints) Performing minimization step: 3305. Total energy = 3236.4188 kcal/mol (3228.0169 without restraints) Performing minimization step: 3306. Total energy = 3235.4180 kcal/mol (3227.0182 without restraints) Performing minimization step: 3307. Total energy = 3234.4179 kcal/mol (3226.0202 without restraints) Performing minimization step: 3308. Total energy = 3233.4185 kcal/mol (3225.0228 without restraints) Performing minimization step: 3309. Total energy = 3232.4197 kcal/mol (3224.0260 without restraints) Performing minimization step: 3310. Total energy = 3231.4215 kcal/mol (3223.0299 without restraints) Performing minimization step: 3311. Total energy = 3230.4241 kcal/mol (3222.0344 without restraints) Performing minimization step: 3312. Total energy = 3229.4273 kcal/mol (3221.0397 without restraints) Performing minimization step: 3313. Total energy = 3228.4314 kcal/mol (3220.0459 without restraints) Performing minimization step: 3314. Total energy = 3227.4360 kcal/mol (3219.0526 without restraints) Performing minimization step: 3315. Total energy = 3226.4413 kcal/mol (3218.0598 without restraints) Performing minimization step: 3316. Total energy = 3225.4473 kcal/mol (3217.0678 without restraints) Performing minimization step: 3317. Total energy = 3224.4545 kcal/mol (3216.0772 without restraints) Performing minimization step: 3318. Total energy = 3223.4621 kcal/mol (3215.0867 without restraints) Performing minimization step: 3319. Total energy = 3222.4701 kcal/mol (3214.0968 without restraints) Performing minimization step: 3320. Total energy = 3221.4793 kcal/mol (3213.1080 without restraints) Performing minimization step: 3321. Total energy = 3220.4886 kcal/mol (3212.1193 without restraints) Performing minimization step: 3322. Total energy = 3219.4986 kcal/mol (3211.1314 without restraints) Performing minimization step: 3323. Total energy = 3218.5095 kcal/mol (3210.1445 without restraints) Performing minimization step: 3324. Total energy = 3217.5214 kcal/mol (3209.1582 without restraints) Performing minimization step: 3325. Total energy = 3216.5334 kcal/mol (3208.1722 without restraints) Performing minimization step: 3326. Total energy = 3215.5464 kcal/mol (3207.1872 without restraints) Performing minimization step: 3327. Total energy = 3214.5600 kcal/mol (3206.2029 without restraints) Performing minimization step: 3328. Total energy = 3213.5745 kcal/mol (3205.2195 without restraints) Performing minimization step: 3329. Total energy = 3212.5891 kcal/mol (3204.2360 without restraints) Performing minimization step: 3330. Total energy = 3211.6050 kcal/mol (3203.2539 without restraints) Performing minimization step: 3331. Total energy = 3210.6208 kcal/mol (3202.2717 without restraints) Performing minimization step: 3332. Total energy = 3209.6376 kcal/mol (3201.2907 without restraints) Performing minimization step: 3333. Total energy = 3208.6551 kcal/mol (3200.3102 without restraints) Performing minimization step: 3334. Total energy = 3207.6736 kcal/mol (3199.3307 without restraints) Performing minimization step: 3335. Total energy = 3206.6927 kcal/mol (3198.3517 without restraints) Performing minimization step: 3336. Total energy = 3205.7122 kcal/mol (3197.3734 without restraints) Performing minimization step: 3337. Total energy = 3204.7324 kcal/mol (3196.3955 without restraints) Performing minimization step: 3338. Total energy = 3203.7534 kcal/mol (3195.4186 without restraints) Performing minimization step: 3339. Total energy = 3202.7749 kcal/mol (3194.4420 without restraints) Performing minimization step: 3340. Total energy = 3201.7970 kcal/mol (3193.4662 without restraints) Performing minimization step: 3341. Total energy = 3200.8197 kcal/mol (3192.4910 without restraints) Performing minimization step: 3342. Total energy = 3199.8433 kcal/mol (3191.5165 without restraints) Performing minimization step: 3343. Total energy = 3198.8676 kcal/mol (3190.5428 without restraints) Performing minimization step: 3344. Total energy = 3197.8926 kcal/mol (3189.5697 without restraints) Performing minimization step: 3345. Total energy = 3196.9179 kcal/mol (3188.5972 without restraints) Performing minimization step: 3346. Total energy = 3195.9444 kcal/mol (3187.6258 without restraints) Performing minimization step: 3347. Total energy = 3194.9720 kcal/mol (3186.6553 without restraints) Performing minimization step: 3348. Total energy = 3194.0002 kcal/mol (3185.6855 without restraints) Performing minimization step: 3349. Total energy = 3193.0288 kcal/mol (3184.7162 without restraints) Performing minimization step: 3350. Total energy = 3192.0577 kcal/mol (3183.7470 without restraints) Performing minimization step: 3351. Total energy = 3191.0872 kcal/mol (3182.7784 without restraints) Performing minimization step: 3352. Total energy = 3190.1173 kcal/mol (3181.8106 without restraints) Performing minimization step: 3353. Total energy = 3189.1480 kcal/mol (3180.8433 without restraints) Performing minimization step: 3354. Total energy = 3188.1789 kcal/mol (3179.8762 without restraints) Performing minimization step: 3355. Total energy = 3187.2113 kcal/mol (3178.9106 without restraints) Performing minimization step: 3356. Total energy = 3186.2444 kcal/mol (3177.9458 without restraints) Performing minimization step: 3357. Total energy = 3185.2780 kcal/mol (3176.9813 without restraints) Performing minimization step: 3358. Total energy = 3184.3121 kcal/mol (3176.0174 without restraints) Performing minimization step: 3359. Total energy = 3183.3468 kcal/mol (3175.0542 without restraints) Performing minimization step: 3360. Total energy = 3182.3823 kcal/mol (3174.0916 without restraints) Performing minimization step: 3361. Total energy = 3181.4185 kcal/mol (3173.1299 without restraints) Performing minimization step: 3362. Total energy = 3180.4555 kcal/mol (3172.1687 without restraints) Performing minimization step: 3363. Total energy = 3179.4928 kcal/mol (3171.2081 without restraints) Performing minimization step: 3364. Total energy = 3178.5313 kcal/mol (3170.2485 without restraints) Performing minimization step: 3365. Total energy = 3177.5700 kcal/mol (3169.2894 without restraints) Performing minimization step: 3366. Total energy = 3176.6094 kcal/mol (3168.3307 without restraints) Performing minimization step: 3367. Total energy = 3175.6492 kcal/mol (3167.3725 without restraints) Performing minimization step: 3368. Total energy = 3174.6902 kcal/mol (3166.4154 without restraints) Performing minimization step: 3369. Total energy = 3173.7315 kcal/mol (3165.4587 without restraints) Performing minimization step: 3370. Total energy = 3172.7735 kcal/mol (3164.5027 without restraints) Performing minimization step: 3371. Total energy = 3171.8161 kcal/mol (3163.5473 without restraints) Performing minimization step: 3372. Total energy = 3170.8596 kcal/mol (3162.5930 without restraints) Performing minimization step: 3373. Total energy = 3169.9039 kcal/mol (3161.6392 without restraints) Performing minimization step: 3374. Total energy = 3168.9484 kcal/mol (3160.6856 without restraints) Performing minimization step: 3375. Total energy = 3167.9938 kcal/mol (3159.7330 without restraints) Performing minimization step: 3376. Total energy = 3167.0395 kcal/mol (3158.7806 without restraints) Performing minimization step: 3377. Total energy = 3166.0859 kcal/mol (3157.8290 without restraints) Performing minimization step: 3378. Total energy = 3165.1332 kcal/mol (3156.8783 without restraints) Performing minimization step: 3379. Total energy = 3164.1814 kcal/mol (3155.9285 without restraints) Performing minimization step: 3380. Total energy = 3163.2300 kcal/mol (3154.9791 without restraints) Performing minimization step: 3381. Total energy = 3162.2792 kcal/mol (3154.0301 without restraints) Performing minimization step: 3382. Total energy = 3161.3286 kcal/mol (3153.0816 without restraints) Performing minimization step: 3383. Total energy = 3160.3791 kcal/mol (3152.1341 without restraints) Performing minimization step: 3384. Total energy = 3159.4303 kcal/mol (3151.1873 without restraints) Performing minimization step: 3385. Total energy = 3158.4821 kcal/mol (3150.2411 without restraints) Performing minimization step: 3386. Total energy = 3157.5345 kcal/mol (3149.2953 without restraints) Performing minimization step: 3387. Total energy = 3156.5873 kcal/mol (3148.3502 without restraints) Performing minimization step: 3388. Total energy = 3155.6414 kcal/mol (3147.4062 without restraints) Performing minimization step: 3389. Total energy = 3154.6956 kcal/mol (3146.4625 without restraints) Performing minimization step: 3390. Total energy = 3153.7508 kcal/mol (3145.5197 without restraints) Performing minimization step: 3391. Total energy = 3152.8067 kcal/mol (3144.5776 without restraints) Performing minimization step: 3392. Total energy = 3151.8630 kcal/mol (3143.6358 without restraints) Performing minimization step: 3393. Total energy = 3150.9201 kcal/mol (3142.6948 without restraints) Performing minimization step: 3394. Total energy = 3149.9783 kcal/mol (3141.7551 without restraints) Performing minimization step: 3395. Total energy = 3149.0364 kcal/mol (3140.8151 without restraints) Performing minimization step: 3396. Total energy = 3148.0949 kcal/mol (3139.8755 without restraints) Performing minimization step: 3397. Total energy = 3147.1543 kcal/mol (3138.9368 without restraints) Performing minimization step: 3398. Total energy = 3146.2146 kcal/mol (3137.9993 without restraints) Performing minimization step: 3399. Total energy = 3145.2755 kcal/mol (3137.0619 without restraints) Performing minimization step: 3400. Total energy = 3144.3367 kcal/mol (3136.1251 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3401. Total energy = 3143.3986 kcal/mol (3135.1890 without restraints) Performing minimization step: 3402. Total energy = 3142.4612 kcal/mol (3134.2537 without restraints) Performing minimization step: 3403. Total energy = 3141.5251 kcal/mol (3133.3195 without restraints) Performing minimization step: 3404. Total energy = 3140.5890 kcal/mol (3132.3854 without restraints) Performing minimization step: 3405. Total energy = 3139.6535 kcal/mol (3131.4518 without restraints) Performing minimization step: 3406. Total energy = 3138.7190 kcal/mol (3130.5193 without restraints) Performing minimization step: 3407. Total energy = 3137.7847 kcal/mol (3129.5870 without restraints) Performing minimization step: 3408. Total energy = 3136.8515 kcal/mol (3128.6557 without restraints) Performing minimization step: 3409. Total energy = 3135.9186 kcal/mol (3127.7247 without restraints) Performing minimization step: 3410. Total energy = 3134.9860 kcal/mol (3126.7941 without restraints) Performing minimization step: 3411. Total energy = 3134.0546 kcal/mol (3125.8647 without restraints) Performing minimization step: 3412. Total energy = 3133.1236 kcal/mol (3124.9356 without restraints) Performing minimization step: 3413. Total energy = 3132.1935 kcal/mol (3124.0074 without restraints) Performing minimization step: 3414. Total energy = 3131.2640 kcal/mol (3123.0799 without restraints) Performing minimization step: 3415. Total energy = 3130.3347 kcal/mol (3122.1526 without restraints) Performing minimization step: 3416. Total energy = 3129.4064 kcal/mol (3121.2262 without restraints) Performing minimization step: 3417. Total energy = 3128.4784 kcal/mol (3120.3001 without restraints) Performing minimization step: 3418. Total energy = 3127.5510 kcal/mol (3119.3747 without restraints) Performing minimization step: 3419. Total energy = 3126.6246 kcal/mol (3118.4502 without restraints) Performing minimization step: 3420. Total energy = 3125.6989 kcal/mol (3117.5265 without restraints) Performing minimization step: 3421. Total energy = 3124.7740 kcal/mol (3116.6036 without restraints) Performing minimization step: 3422. Total energy = 3123.8492 kcal/mol (3115.6807 without restraints) Performing minimization step: 3423. Total energy = 3122.9258 kcal/mol (3114.7594 without restraints) Performing minimization step: 3424. Total energy = 3122.0030 kcal/mol (3113.8385 without restraints) Performing minimization step: 3425. Total energy = 3121.0806 kcal/mol (3112.9179 without restraints) Performing minimization step: 3426. Total energy = 3120.1582 kcal/mol (3111.9975 without restraints) Performing minimization step: 3427. Total energy = 3119.2368 kcal/mol (3111.0780 without restraints) Performing minimization step: 3428. Total energy = 3118.3158 kcal/mol (3110.1591 without restraints) Performing minimization step: 3429. Total energy = 3117.3957 kcal/mol (3109.2410 without restraints) Performing minimization step: 3430. Total energy = 3116.4764 kcal/mol (3108.3234 without restraints) Performing minimization step: 3431. Total energy = 3115.5571 kcal/mol (3107.4061 without restraints) Performing minimization step: 3432. Total energy = 3114.6384 kcal/mol (3106.4893 without restraints) Performing minimization step: 3433. Total energy = 3113.7207 kcal/mol (3105.5735 without restraints) Performing minimization step: 3434. Total energy = 3112.8039 kcal/mol (3104.6588 without restraints) Performing minimization step: 3435. Total energy = 3111.8874 kcal/mol (3103.7441 without restraints) Performing minimization step: 3436. Total energy = 3110.9714 kcal/mol (3102.8301 without restraints) Performing minimization step: 3437. Total energy = 3110.0560 kcal/mol (3101.9166 without restraints) Performing minimization step: 3438. Total energy = 3109.1414 kcal/mol (3101.0038 without restraints) Performing minimization step: 3439. Total energy = 3108.2271 kcal/mol (3100.0915 without restraints) Performing minimization step: 3440. Total energy = 3107.3135 kcal/mol (3099.1798 without restraints) Performing minimization step: 3441. Total energy = 3106.4005 kcal/mol (3098.2687 without restraints) Performing minimization step: 3442. Total energy = 3105.4886 kcal/mol (3097.3588 without restraints) Performing minimization step: 3443. Total energy = 3104.5770 kcal/mol (3096.4491 without restraints) Performing minimization step: 3444. Total energy = 3103.6663 kcal/mol (3095.5405 without restraints) Performing minimization step: 3445. Total energy = 3102.7559 kcal/mol (3094.6320 without restraints) Performing minimization step: 3446. Total energy = 3101.8461 kcal/mol (3093.7240 without restraints) Performing minimization step: 3447. Total energy = 3100.9378 kcal/mol (3092.8180 without restraints) Performing minimization step: 3448. Total energy = 3100.0301 kcal/mol (3091.9118 without restraints) Performing minimization step: 3449. Total energy = 3099.1218 kcal/mol (3091.0054 without restraints) Performing minimization step: 3450. Total energy = 3098.2149 kcal/mol (3090.1005 without restraints) Performing minimization step: 3451. Total energy = 3097.3081 kcal/mol (3089.1955 without restraints) Performing minimization step: 3452. Total energy = 3096.4020 kcal/mol (3088.2914 without restraints) Performing minimization step: 3453. Total energy = 3095.4963 kcal/mol (3087.3877 without restraints) Performing minimization step: 3454. Total energy = 3094.5915 kcal/mol (3086.4847 without restraints) Performing minimization step: 3455. Total energy = 3093.6871 kcal/mol (3085.5822 without restraints) Performing minimization step: 3456. Total energy = 3092.7838 kcal/mol (3084.6808 without restraints) Performing minimization step: 3457. Total energy = 3091.8804 kcal/mol (3083.7793 without restraints) Performing minimization step: 3458. Total energy = 3090.9775 kcal/mol (3082.8784 without restraints) Performing minimization step: 3459. Total energy = 3090.0754 kcal/mol (3081.9781 without restraints) Performing minimization step: 3460. Total energy = 3089.1741 kcal/mol (3081.0788 without restraints) Performing minimization step: 3461. Total energy = 3088.2733 kcal/mol (3080.1799 without restraints) Performing minimization step: 3462. Total energy = 3087.3731 kcal/mol (3079.2816 without restraints) Performing minimization step: 3463. Total energy = 3086.4736 kcal/mol (3078.3841 without restraints) Performing minimization step: 3464. Total energy = 3085.5749 kcal/mol (3077.4872 without restraints) Performing minimization step: 3465. Total energy = 3084.6766 kcal/mol (3076.5908 without restraints) Performing minimization step: 3466. Total energy = 3083.7789 kcal/mol (3075.6951 without restraints) Performing minimization step: 3467. Total energy = 3082.8817 kcal/mol (3074.7998 without restraints) Performing minimization step: 3468. Total energy = 3081.9857 kcal/mol (3073.9057 without restraints) Performing minimization step: 3469. Total energy = 3081.0898 kcal/mol (3073.0116 without restraints) Performing minimization step: 3470. Total energy = 3080.1944 kcal/mol (3072.1182 without restraints) Performing minimization step: 3471. Total energy = 3079.2995 kcal/mol (3071.2253 without restraints) Performing minimization step: 3472. Total energy = 3078.4057 kcal/mol (3070.3332 without restraints) Performing minimization step: 3473. Total energy = 3077.5121 kcal/mol (3069.4416 without restraints) Performing minimization step: 3474. Total energy = 3076.6191 kcal/mol (3068.5505 without restraints) Performing minimization step: 3475. Total energy = 3075.7268 kcal/mol (3067.6602 without restraints) Performing minimization step: 3476. Total energy = 3074.8351 kcal/mol (3066.7703 without restraints) Performing minimization step: 3477. Total energy = 3073.9439 kcal/mol (3065.8811 without restraints) Performing minimization step: 3478. Total energy = 3073.0534 kcal/mol (3064.9923 without restraints) Performing minimization step: 3479. Total energy = 3072.1636 kcal/mol (3064.1046 without restraints) Performing minimization step: 3480. Total energy = 3071.2736 kcal/mol (3063.2163 without restraints) Performing minimization step: 3481. Total energy = 3070.3849 kcal/mol (3062.3296 without restraints) Performing minimization step: 3482. Total energy = 3069.4970 kcal/mol (3061.4437 without restraints) Performing minimization step: 3483. Total energy = 3068.6096 kcal/mol (3060.5581 without restraints) Performing minimization step: 3484. Total energy = 3067.7225 kcal/mol (3059.6728 without restraints) Performing minimization step: 3485. Total energy = 3066.8362 kcal/mol (3058.7884 without restraints) Performing minimization step: 3486. Total energy = 3065.9505 kcal/mol (3057.9047 without restraints) Performing minimization step: 3487. Total energy = 3065.0653 kcal/mol (3057.0213 without restraints) Performing minimization step: 3488. Total energy = 3064.1810 kcal/mol (3056.1390 without restraints) Performing minimization step: 3489. Total energy = 3063.2974 kcal/mol (3055.2572 without restraints) Performing minimization step: 3490. Total energy = 3062.4139 kcal/mol (3054.3756 without restraints) Performing minimization step: 3491. Total energy = 3061.5316 kcal/mol (3053.4951 without restraints) Performing minimization step: 3492. Total energy = 3060.6493 kcal/mol (3052.6147 without restraints) Performing minimization step: 3493. Total energy = 3059.7678 kcal/mol (3051.7350 without restraints) Performing minimization step: 3494. Total energy = 3058.8867 kcal/mol (3050.8558 without restraints) Performing minimization step: 3495. Total energy = 3058.0062 kcal/mol (3049.9772 without restraints) Performing minimization step: 3496. Total energy = 3057.1265 kcal/mol (3049.0994 without restraints) Performing minimization step: 3497. Total energy = 3056.2471 kcal/mol (3048.2219 without restraints) Performing minimization step: 3498. Total energy = 3055.3683 kcal/mol (3047.3450 without restraints) Performing minimization step: 3499. Total energy = 3054.4902 kcal/mol (3046.4688 without restraints) Performing minimization step: 3500. Total energy = 3053.6132 kcal/mol (3045.5936 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3501. Total energy = 3052.7362 kcal/mol (3044.7187 without restraints) Performing minimization step: 3502. Total energy = 3051.8605 kcal/mol (3043.8447 without restraints) Performing minimization step: 3503. Total energy = 3050.9847 kcal/mol (3042.9708 without restraints) Performing minimization step: 3504. Total energy = 3050.1099 kcal/mol (3042.0979 without restraints) Performing minimization step: 3505. Total energy = 3049.2351 kcal/mol (3041.2249 without restraints) Performing minimization step: 3506. Total energy = 3048.3611 kcal/mol (3040.3525 without restraints) Performing minimization step: 3507. Total energy = 3047.4879 kcal/mol (3039.4815 without restraints) Performing minimization step: 3508. Total energy = 3046.6151 kcal/mol (3038.6105 without restraints) Performing minimization step: 3509. Total energy = 3045.7429 kcal/mol (3037.7403 without restraints) Performing minimization step: 3510. Total energy = 3044.8710 kcal/mol (3036.8702 without restraints) Performing minimization step: 3511. Total energy = 3044.0000 kcal/mol (3036.0011 without restraints) Performing minimization step: 3512. Total energy = 3043.1297 kcal/mol (3035.1326 without restraints) Performing minimization step: 3513. Total energy = 3042.2599 kcal/mol (3034.2647 without restraints) Performing minimization step: 3514. Total energy = 3041.3904 kcal/mol (3033.3970 without restraints) Performing minimization step: 3515. Total energy = 3040.5215 kcal/mol (3032.5300 without restraints) Performing minimization step: 3516. Total energy = 3039.6534 kcal/mol (3031.6639 without restraints) Performing minimization step: 3517. Total energy = 3038.7859 kcal/mol (3030.7981 without restraints) Performing minimization step: 3518. Total energy = 3037.9190 kcal/mol (3029.9331 without restraints) Performing minimization step: 3519. Total energy = 3037.0525 kcal/mol (3029.0684 without restraints) Performing minimization step: 3520. Total energy = 3036.1865 kcal/mol (3028.2043 without restraints) Performing minimization step: 3521. Total energy = 3035.3216 kcal/mol (3027.3413 without restraints) Performing minimization step: 3522. Total energy = 3034.4568 kcal/mol (3026.4784 without restraints) Performing minimization step: 3523. Total energy = 3033.5926 kcal/mol (3025.6160 without restraints) Performing minimization step: 3524. Total energy = 3032.7292 kcal/mol (3024.7545 without restraints) Performing minimization step: 3525. Total energy = 3031.8664 kcal/mol (3023.8935 without restraints) Performing minimization step: 3526. Total energy = 3031.0040 kcal/mol (3023.0329 without restraints) Performing minimization step: 3527. Total energy = 3030.1423 kcal/mol (3022.1731 without restraints) Performing minimization step: 3528. Total energy = 3029.2815 kcal/mol (3021.3143 without restraints) Performing minimization step: 3529. Total energy = 3028.4209 kcal/mol (3020.4554 without restraints) Performing minimization step: 3530. Total energy = 3027.5615 kcal/mol (3019.5981 without restraints) Performing minimization step: 3531. Total energy = 3026.7028 kcal/mol (3018.7410 without restraints) Performing minimization step: 3532. Total energy = 3025.8435 kcal/mol (3017.8836 without restraints) Performing minimization step: 3533. Total energy = 3024.9849 kcal/mol (3017.0268 without restraints) Performing minimization step: 3534. Total energy = 3024.1271 kcal/mol (3016.1709 without restraints) Performing minimization step: 3535. Total energy = 3023.2702 kcal/mol (3015.3159 without restraints) Performing minimization step: 3536. Total energy = 3022.4139 kcal/mol (3014.4613 without restraints) Performing minimization step: 3537. Total energy = 3021.5580 kcal/mol (3013.6074 without restraints) Performing minimization step: 3538. Total energy = 3020.7025 kcal/mol (3012.7535 without restraints) Performing minimization step: 3539. Total energy = 3019.8470 kcal/mol (3011.8999 without restraints) Performing minimization step: 3540. Total energy = 3018.9932 kcal/mol (3011.0480 without restraints) Performing minimization step: 3541. Total energy = 3018.1390 kcal/mol (3010.1956 without restraints) Performing minimization step: 3542. Total energy = 3017.2859 kcal/mol (3009.3445 without restraints) Performing minimization step: 3543. Total energy = 3016.4335 kcal/mol (3008.4938 without restraints) Performing minimization step: 3544. Total energy = 3015.5820 kcal/mol (3007.6442 without restraints) Performing minimization step: 3545. Total energy = 3014.7304 kcal/mol (3006.7945 without restraints) Performing minimization step: 3546. Total energy = 3013.8798 kcal/mol (3005.9457 without restraints) Performing minimization step: 3547. Total energy = 3013.0302 kcal/mol (3005.0979 without restraints) Performing minimization step: 3548. Total energy = 3012.1806 kcal/mol (3004.2503 without restraints) Performing minimization step: 3549. Total energy = 3011.3313 kcal/mol (3003.4027 without restraints) Performing minimization step: 3550. Total energy = 3010.4825 kcal/mol (3002.5558 without restraints) Performing minimization step: 3551. Total energy = 3009.6343 kcal/mol (3001.7094 without restraints) Performing minimization step: 3552. Total energy = 3008.7869 kcal/mol (3000.8638 without restraints) Performing minimization step: 3553. Total energy = 3007.9398 kcal/mol (3000.0186 without restraints) Performing minimization step: 3554. Total energy = 3007.0934 kcal/mol (2999.1740 without restraints) Performing minimization step: 3555. Total energy = 3006.2476 kcal/mol (2998.3300 without restraints) Performing minimization step: 3556. Total energy = 3005.4024 kcal/mol (2997.4868 without restraints) Performing minimization step: 3557. Total energy = 3004.5580 kcal/mol (2996.6442 without restraints) Performing minimization step: 3558. Total energy = 3003.7143 kcal/mol (2995.8021 without restraints) Performing minimization step: 3559. Total energy = 3002.8709 kcal/mol (2994.9606 without restraints) Performing minimization step: 3560. Total energy = 3002.0277 kcal/mol (2994.1192 without restraints) Performing minimization step: 3561. Total energy = 3001.1849 kcal/mol (2993.2784 without restraints) Performing minimization step: 3562. Total energy = 3000.3433 kcal/mol (2992.4386 without restraints) Performing minimization step: 3563. Total energy = 2999.5022 kcal/mol (2991.5992 without restraints) Performing minimization step: 3564. Total energy = 2998.6615 kcal/mol (2990.7603 without restraints) Performing minimization step: 3565. Total energy = 2997.8215 kcal/mol (2989.9222 without restraints) Performing minimization step: 3566. Total energy = 2996.9814 kcal/mol (2989.0839 without restraints) Performing minimization step: 3567. Total energy = 2996.1422 kcal/mol (2988.2463 without restraints) Performing minimization step: 3568. Total energy = 2995.3037 kcal/mol (2987.4098 without restraints) Performing minimization step: 3569. Total energy = 2994.4658 kcal/mol (2986.5739 without restraints) Performing minimization step: 3570. Total energy = 2993.6283 kcal/mol (2985.7380 without restraints) Performing minimization step: 3571. Total energy = 2992.7911 kcal/mol (2984.9027 without restraints) Performing minimization step: 3572. Total energy = 2991.9547 kcal/mol (2984.0681 without restraints) Performing minimization step: 3573. Total energy = 2991.1190 kcal/mol (2983.2343 without restraints) Performing minimization step: 3574. Total energy = 2990.2836 kcal/mol (2982.4005 without restraints) Performing minimization step: 3575. Total energy = 2989.4491 kcal/mol (2981.5679 without restraints) Performing minimization step: 3576. Total energy = 2988.6149 kcal/mol (2980.7355 without restraints) Performing minimization step: 3577. Total energy = 2987.7814 kcal/mol (2979.9039 without restraints) Performing minimization step: 3578. Total energy = 2986.9484 kcal/mol (2979.0728 without restraints) Performing minimization step: 3579. Total energy = 2986.1160 kcal/mol (2978.2421 without restraints) Performing minimization step: 3580. Total energy = 2985.2843 kcal/mol (2977.4121 without restraints) Performing minimization step: 3581. Total energy = 2984.4529 kcal/mol (2976.5825 without restraints) Performing minimization step: 3582. Total energy = 2983.6223 kcal/mol (2975.7537 without restraints) Performing minimization step: 3583. Total energy = 2982.7920 kcal/mol (2974.9253 without restraints) Performing minimization step: 3584. Total energy = 2981.9620 kcal/mol (2974.0971 without restraints) Performing minimization step: 3585. Total energy = 2981.1329 kcal/mol (2973.2699 without restraints) Performing minimization step: 3586. Total energy = 2980.3046 kcal/mol (2972.4433 without restraints) Performing minimization step: 3587. Total energy = 2979.4767 kcal/mol (2971.6172 without restraints) Performing minimization step: 3588. Total energy = 2978.6492 kcal/mol (2970.7915 without restraints) Performing minimization step: 3589. Total energy = 2977.8228 kcal/mol (2969.9668 without restraints) Performing minimization step: 3590. Total energy = 2976.9964 kcal/mol (2969.1423 without restraints) Performing minimization step: 3591. Total energy = 2976.1707 kcal/mol (2968.3185 without restraints) Performing minimization step: 3592. Total energy = 2975.3454 kcal/mol (2967.4949 without restraints) Performing minimization step: 3593. Total energy = 2974.5205 kcal/mol (2966.6718 without restraints) Performing minimization step: 3594. Total energy = 2973.6963 kcal/mol (2965.8494 without restraints) Performing minimization step: 3595. Total energy = 2972.8726 kcal/mol (2965.0273 without restraints) Performing minimization step: 3596. Total energy = 2972.0494 kcal/mol (2964.2061 without restraints) Performing minimization step: 3597. Total energy = 2971.2272 kcal/mol (2963.3856 without restraints) Performing minimization step: 3598. Total energy = 2970.4052 kcal/mol (2962.5655 without restraints) Performing minimization step: 3599. Total energy = 2969.5838 kcal/mol (2961.7458 without restraints) Performing minimization step: 3600. Total energy = 2968.7631 kcal/mol (2960.9270 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3601. Total energy = 2967.9428 kcal/mol (2960.1085 without restraints) Performing minimization step: 3602. Total energy = 2967.1237 kcal/mol (2959.2912 without restraints) Performing minimization step: 3603. Total energy = 2966.3052 kcal/mol (2958.4744 without restraints) Performing minimization step: 3604. Total energy = 2965.4865 kcal/mol (2957.6575 without restraints) Performing minimization step: 3605. Total energy = 2964.6685 kcal/mol (2956.8413 without restraints) Performing minimization step: 3606. Total energy = 2963.8507 kcal/mol (2956.0252 without restraints) Performing minimization step: 3607. Total energy = 2963.0338 kcal/mol (2955.2102 without restraints) Performing minimization step: 3608. Total energy = 2962.2179 kcal/mol (2954.3960 without restraints) Performing minimization step: 3609. Total energy = 2961.4023 kcal/mol (2953.5822 without restraints) Performing minimization step: 3610. Total energy = 2960.5873 kcal/mol (2952.7691 without restraints) Performing minimization step: 3611. Total energy = 2959.7730 kcal/mol (2951.9565 without restraints) Performing minimization step: 3612. Total energy = 2958.9587 kcal/mol (2951.1439 without restraints) Performing minimization step: 3613. Total energy = 2958.1448 kcal/mol (2950.3319 without restraints) Performing minimization step: 3614. Total energy = 2957.3316 kcal/mol (2949.5205 without restraints) Performing minimization step: 3615. Total energy = 2956.5192 kcal/mol (2948.7099 without restraints) Performing minimization step: 3616. Total energy = 2955.7071 kcal/mol (2947.8995 without restraints) Performing minimization step: 3617. Total energy = 2954.8956 kcal/mol (2947.0898 without restraints) Performing minimization step: 3618. Total energy = 2954.0846 kcal/mol (2946.2806 without restraints) Performing minimization step: 3619. Total energy = 2953.2743 kcal/mol (2945.4721 without restraints) Performing minimization step: 3620. Total energy = 2952.4647 kcal/mol (2944.6642 without restraints) Performing minimization step: 3621. Total energy = 2951.6556 kcal/mol (2943.8571 without restraints) Performing minimization step: 3622. Total energy = 2950.8472 kcal/mol (2943.0503 without restraints) Performing minimization step: 3623. Total energy = 2950.0395 kcal/mol (2942.2445 without restraints) Performing minimization step: 3624. Total energy = 2949.2319 kcal/mol (2941.4385 without restraints) Performing minimization step: 3625. Total energy = 2948.4249 kcal/mol (2940.6333 without restraints) Performing minimization step: 3626. Total energy = 2947.6185 kcal/mol (2939.8287 without restraints) Performing minimization step: 3627. Total energy = 2946.8124 kcal/mol (2939.0243 without restraints) Performing minimization step: 3628. Total energy = 2946.0071 kcal/mol (2938.2208 without restraints) Performing minimization step: 3629. Total energy = 2945.2020 kcal/mol (2937.4174 without restraints) Performing minimization step: 3630. Total energy = 2944.3979 kcal/mol (2936.6152 without restraints) Performing minimization step: 3631. Total energy = 2943.5945 kcal/mol (2935.8135 without restraints) Performing minimization step: 3632. Total energy = 2942.7912 kcal/mol (2935.0119 without restraints) Performing minimization step: 3633. Total energy = 2941.9881 kcal/mol (2934.2107 without restraints) Performing minimization step: 3634. Total energy = 2941.1857 kcal/mol (2933.4101 without restraints) Performing minimization step: 3635. Total energy = 2940.3849 kcal/mol (2932.6111 without restraints) Performing minimization step: 3636. Total energy = 2939.5829 kcal/mol (2931.8108 without restraints) Performing minimization step: 3637. Total energy = 2938.7823 kcal/mol (2931.0119 without restraints) Performing minimization step: 3638. Total energy = 2937.9820 kcal/mol (2930.2134 without restraints) Performing minimization step: 3639. Total energy = 2937.1826 kcal/mol (2929.4157 without restraints) Performing minimization step: 3640. Total energy = 2936.3835 kcal/mol (2928.6184 without restraints) Performing minimization step: 3641. Total energy = 2935.5852 kcal/mol (2927.8219 without restraints) Performing minimization step: 3642. Total energy = 2934.7877 kcal/mol (2927.0262 without restraints) Performing minimization step: 3643. Total energy = 2933.9907 kcal/mol (2926.2310 without restraints) Performing minimization step: 3644. Total energy = 2933.1939 kcal/mol (2925.4359 without restraints) Performing minimization step: 3645. Total energy = 2932.3976 kcal/mol (2924.6412 without restraints) Performing minimization step: 3646. Total energy = 2931.6019 kcal/mol (2923.8474 without restraints) Performing minimization step: 3647. Total energy = 2930.8071 kcal/mol (2923.0543 without restraints) Performing minimization step: 3648. Total energy = 2930.0127 kcal/mol (2922.2617 without restraints) Performing minimization step: 3649. Total energy = 2929.2189 kcal/mol (2921.4697 without restraints) Performing minimization step: 3650. Total energy = 2928.4254 kcal/mol (2920.6779 without restraints) Performing minimization step: 3651. Total energy = 2927.6327 kcal/mol (2919.8869 without restraints) Performing minimization step: 3652. Total energy = 2926.8398 kcal/mol (2919.0957 without restraints) Performing minimization step: 3653. Total energy = 2926.0478 kcal/mol (2918.3057 without restraints) Performing minimization step: 3654. Total energy = 2925.2566 kcal/mol (2917.5161 without restraints) Performing minimization step: 3655. Total energy = 2924.4657 kcal/mol (2916.7270 without restraints) Performing minimization step: 3656. Total energy = 2923.6758 kcal/mol (2915.9388 without restraints) Performing minimization step: 3657. Total energy = 2922.8863 kcal/mol (2915.1510 without restraints) Performing minimization step: 3658. Total energy = 2922.0973 kcal/mol (2914.3637 without restraints) Performing minimization step: 3659. Total energy = 2921.3086 kcal/mol (2913.5768 without restraints) Performing minimization step: 3660. Total energy = 2920.5208 kcal/mol (2912.7908 without restraints) Performing minimization step: 3661. Total energy = 2919.7338 kcal/mol (2912.0054 without restraints) Performing minimization step: 3662. Total energy = 2918.9469 kcal/mol (2911.2203 without restraints) Performing minimization step: 3663. Total energy = 2918.1604 kcal/mol (2910.4355 without restraints) Performing minimization step: 3664. Total energy = 2917.3739 kcal/mol (2909.6508 without restraints) Performing minimization step: 3665. Total energy = 2916.5886 kcal/mol (2908.8672 without restraints) Performing minimization step: 3666. Total energy = 2915.8039 kcal/mol (2908.0842 without restraints) Performing minimization step: 3667. Total energy = 2915.0194 kcal/mol (2907.3016 without restraints) Performing minimization step: 3668. Total energy = 2914.2357 kcal/mol (2906.5196 without restraints) Performing minimization step: 3669. Total energy = 2913.4528 kcal/mol (2905.7384 without restraints) Performing minimization step: 3670. Total energy = 2912.6706 kcal/mol (2904.9579 without restraints) Performing minimization step: 3671. Total energy = 2911.8888 kcal/mol (2904.1778 without restraints) Performing minimization step: 3672. Total energy = 2911.1074 kcal/mol (2903.3982 without restraints) Performing minimization step: 3673. Total energy = 2910.3269 kcal/mol (2902.6194 without restraints) Performing minimization step: 3674. Total energy = 2909.5464 kcal/mol (2901.8406 without restraints) Performing minimization step: 3675. Total energy = 2908.7665 kcal/mol (2901.0625 without restraints) Performing minimization step: 3676. Total energy = 2907.9876 kcal/mol (2900.2853 without restraints) Performing minimization step: 3677. Total energy = 2907.2087 kcal/mol (2899.5081 without restraints) Performing minimization step: 3678. Total energy = 2906.4303 kcal/mol (2898.7314 without restraints) Performing minimization step: 3679. Total energy = 2905.6526 kcal/mol (2897.9555 without restraints) Performing minimization step: 3680. Total energy = 2904.8755 kcal/mol (2897.1802 without restraints) Performing minimization step: 3681. Total energy = 2904.0987 kcal/mol (2896.4051 without restraints) Performing minimization step: 3682. Total energy = 2903.3227 kcal/mol (2895.6308 without restraints) Performing minimization step: 3683. Total energy = 2902.5472 kcal/mol (2894.8570 without restraints) Performing minimization step: 3684. Total energy = 2901.7722 kcal/mol (2894.0838 without restraints) Performing minimization step: 3685. Total energy = 2900.9977 kcal/mol (2893.3111 without restraints) Performing minimization step: 3686. Total energy = 2900.2236 kcal/mol (2892.5386 without restraints) Performing minimization step: 3687. Total energy = 2899.4500 kcal/mol (2891.7668 without restraints) Performing minimization step: 3688. Total energy = 2898.6772 kcal/mol (2890.9956 without restraints) Performing minimization step: 3689. Total energy = 2897.9046 kcal/mol (2890.2247 without restraints) Performing minimization step: 3690. Total energy = 2897.1325 kcal/mol (2889.4545 without restraints) Performing minimization step: 3691. Total energy = 2896.3614 kcal/mol (2888.6850 without restraints) Performing minimization step: 3692. Total energy = 2895.5908 kcal/mol (2887.9161 without restraints) Performing minimization step: 3693. Total energy = 2894.8211 kcal/mol (2887.1482 without restraints) Performing minimization step: 3694. Total energy = 2894.0514 kcal/mol (2886.3801 without restraints) Performing minimization step: 3695. Total energy = 2893.2821 kcal/mol (2885.6126 without restraints) Performing minimization step: 3696. Total energy = 2892.5140 kcal/mol (2884.8462 without restraints) Performing minimization step: 3697. Total energy = 2891.7466 kcal/mol (2884.0805 without restraints) Performing minimization step: 3698. Total energy = 2890.9792 kcal/mol (2883.3148 without restraints) Performing minimization step: 3699. Total energy = 2890.2120 kcal/mol (2882.5493 without restraints) Performing minimization step: 3700. Total energy = 2889.4454 kcal/mol (2881.7845 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3701. Total energy = 2888.6798 kcal/mol (2881.0207 without restraints) Performing minimization step: 3702. Total energy = 2887.9143 kcal/mol (2880.2568 without restraints) Performing minimization step: 3703. Total energy = 2887.1489 kcal/mol (2879.4929 without restraints) Performing minimization step: 3704. Total energy = 2886.3839 kcal/mol (2878.7298 without restraints) Performing minimization step: 3705. Total energy = 2885.6203 kcal/mol (2877.9679 without restraints) Performing minimization step: 3706. Total energy = 2884.8571 kcal/mol (2877.2064 without restraints) Performing minimization step: 3707. Total energy = 2884.0944 kcal/mol (2876.4456 without restraints) Performing minimization step: 3708. Total energy = 2883.3324 kcal/mol (2875.6851 without restraints) Performing minimization step: 3709. Total energy = 2882.5711 kcal/mol (2874.9256 without restraints) Performing minimization step: 3710. Total energy = 2881.8103 kcal/mol (2874.1664 without restraints) Performing minimization step: 3711. Total energy = 2881.0497 kcal/mol (2873.4076 without restraints) Performing minimization step: 3712. Total energy = 2880.2897 kcal/mol (2872.6494 without restraints) Performing minimization step: 3713. Total energy = 2879.5303 kcal/mol (2871.8916 without restraints) Performing minimization step: 3714. Total energy = 2878.7715 kcal/mol (2871.1344 without restraints) Performing minimization step: 3715. Total energy = 2878.0135 kcal/mol (2870.3782 without restraints) Performing minimization step: 3716. Total energy = 2877.2557 kcal/mol (2869.6221 without restraints) Performing minimization step: 3717. Total energy = 2876.4984 kcal/mol (2868.8664 without restraints) Performing minimization step: 3718. Total energy = 2875.7423 kcal/mol (2868.1122 without restraints) Performing minimization step: 3719. Total energy = 2874.9861 kcal/mol (2867.3576 without restraints) Performing minimization step: 3720. Total energy = 2874.2302 kcal/mol (2866.6033 without restraints) Performing minimization step: 3721. Total energy = 2873.4750 kcal/mol (2865.8499 without restraints) Performing minimization step: 3722. Total energy = 2872.7206 kcal/mol (2865.0972 without restraints) Performing minimization step: 3723. Total energy = 2871.9664 kcal/mol (2864.3446 without restraints) Performing minimization step: 3724. Total energy = 2871.2126 kcal/mol (2863.5926 without restraints) Performing minimization step: 3725. Total energy = 2870.4603 kcal/mol (2862.8422 without restraints) Performing minimization step: 3726. Total energy = 2869.7080 kcal/mol (2862.0914 without restraints) Performing minimization step: 3727. Total energy = 2868.9559 kcal/mol (2861.3409 without restraints) Performing minimization step: 3728. Total energy = 2868.2044 kcal/mol (2860.5912 without restraints) Performing minimization step: 3729. Total energy = 2867.4534 kcal/mol (2859.8418 without restraints) Performing minimization step: 3730. Total energy = 2866.7030 kcal/mol (2859.0931 without restraints) Performing minimization step: 3731. Total energy = 2865.9532 kcal/mol (2858.3450 without restraints) Performing minimization step: 3732. Total energy = 2865.2041 kcal/mol (2857.5977 without restraints) Performing minimization step: 3733. Total energy = 2864.4559 kcal/mol (2856.8513 without restraints) Performing minimization step: 3734. Total energy = 2863.7081 kcal/mol (2856.1050 without restraints) Performing minimization step: 3735. Total energy = 2862.9603 kcal/mol (2855.3589 without restraints) Performing minimization step: 3736. Total energy = 2862.2135 kcal/mol (2854.6137 without restraints) Performing minimization step: 3737. Total energy = 2861.4669 kcal/mol (2853.8688 without restraints) Performing minimization step: 3738. Total energy = 2860.7212 kcal/mol (2853.1247 without restraints) Performing minimization step: 3739. Total energy = 2859.9759 kcal/mol (2852.3812 without restraints) Performing minimization step: 3740. Total energy = 2859.2310 kcal/mol (2851.6380 without restraints) Performing minimization step: 3741. Total energy = 2858.4869 kcal/mol (2850.8957 without restraints) Performing minimization step: 3742. Total energy = 2857.7435 kcal/mol (2850.1538 without restraints) Performing minimization step: 3743. Total energy = 2857.0002 kcal/mol (2849.4122 without restraints) Performing minimization step: 3744. Total energy = 2856.2575 kcal/mol (2848.6713 without restraints) Performing minimization step: 3745. Total energy = 2855.5152 kcal/mol (2847.9306 without restraints) Performing minimization step: 3746. Total energy = 2854.7734 kcal/mol (2847.1905 without restraints) Performing minimization step: 3747. Total energy = 2854.0321 kcal/mol (2846.4509 without restraints) Performing minimization step: 3748. Total energy = 2853.2915 kcal/mol (2845.7120 without restraints) Performing minimization step: 3749. Total energy = 2852.5511 kcal/mol (2844.9731 without restraints) Performing minimization step: 3750. Total energy = 2851.8122 kcal/mol (2844.2360 without restraints) Performing minimization step: 3751. Total energy = 2851.0728 kcal/mol (2843.4983 without restraints) Performing minimization step: 3752. Total energy = 2850.3346 kcal/mol (2842.7618 without restraints) Performing minimization step: 3753. Total energy = 2849.5970 kcal/mol (2842.0258 without restraints) Performing minimization step: 3754. Total energy = 2848.8597 kcal/mol (2841.2903 without restraints) Performing minimization step: 3755. Total energy = 2848.1229 kcal/mol (2840.5551 without restraints) Performing minimization step: 3756. Total energy = 2847.3866 kcal/mol (2839.8205 without restraints) Performing minimization step: 3757. Total energy = 2846.6508 kcal/mol (2839.0863 without restraints) Performing minimization step: 3758. Total energy = 2845.9159 kcal/mol (2838.3531 without restraints) Performing minimization step: 3759. Total energy = 2845.1814 kcal/mol (2837.6203 without restraints) Performing minimization step: 3760. Total energy = 2844.4475 kcal/mol (2836.8880 without restraints) Performing minimization step: 3761. Total energy = 2843.7138 kcal/mol (2836.1562 without restraints) Performing minimization step: 3762. Total energy = 2842.9809 kcal/mol (2835.4248 without restraints) Performing minimization step: 3763. Total energy = 2842.2484 kcal/mol (2834.6939 without restraints) Performing minimization step: 3764. Total energy = 2841.5169 kcal/mol (2833.9639 without restraints) Performing minimization step: 3765. Total energy = 2840.7851 kcal/mol (2833.2341 without restraints) Performing minimization step: 3766. Total energy = 2840.0542 kcal/mol (2832.5047 without restraints) Performing minimization step: 3767. Total energy = 2839.3243 kcal/mol (2831.7765 without restraints) Performing minimization step: 3768. Total energy = 2838.5944 kcal/mol (2831.0482 without restraints) Performing minimization step: 3769. Total energy = 2837.8651 kcal/mol (2830.3206 without restraints) Performing minimization step: 3770. Total energy = 2837.1367 kcal/mol (2829.5940 without restraints) Performing minimization step: 3771. Total energy = 2836.4084 kcal/mol (2828.8671 without restraints) Performing minimization step: 3772. Total energy = 2835.6811 kcal/mol (2828.1416 without restraints) Performing minimization step: 3773. Total energy = 2834.9541 kcal/mol (2827.4162 without restraints) Performing minimization step: 3774. Total energy = 2834.2276 kcal/mol (2826.6914 without restraints) Performing minimization step: 3775. Total energy = 2833.5014 kcal/mol (2825.9669 without restraints) Performing minimization step: 3776. Total energy = 2832.7760 kcal/mol (2825.2432 without restraints) Performing minimization step: 3777. Total energy = 2832.0514 kcal/mol (2824.5202 without restraints) Performing minimization step: 3778. Total energy = 2831.3275 kcal/mol (2823.7980 without restraints) Performing minimization step: 3779. Total energy = 2830.6039 kcal/mol (2823.0762 without restraints) Performing minimization step: 3780. Total energy = 2829.8805 kcal/mol (2822.3543 without restraints) Performing minimization step: 3781. Total energy = 2829.1578 kcal/mol (2821.6333 without restraints) Performing minimization step: 3782. Total energy = 2828.4352 kcal/mol (2820.9122 without restraints) Performing minimization step: 3783. Total energy = 2827.7134 kcal/mol (2820.1921 without restraints) Performing minimization step: 3784. Total energy = 2826.9923 kcal/mol (2819.4728 without restraints) Performing minimization step: 3785. Total energy = 2826.2717 kcal/mol (2818.7537 without restraints) Performing minimization step: 3786. Total energy = 2825.5517 kcal/mol (2818.0354 without restraints) Performing minimization step: 3787. Total energy = 2824.8321 kcal/mol (2817.3174 without restraints) Performing minimization step: 3788. Total energy = 2824.1132 kcal/mol (2816.6002 without restraints) Performing minimization step: 3789. Total energy = 2823.3946 kcal/mol (2815.8834 without restraints) Performing minimization step: 3790. Total energy = 2822.6766 kcal/mol (2815.1669 without restraints) Performing minimization step: 3791. Total energy = 2821.9593 kcal/mol (2814.4512 without restraints) Performing minimization step: 3792. Total energy = 2821.2425 kcal/mol (2813.7362 without restraints) Performing minimization step: 3793. Total energy = 2820.5262 kcal/mol (2813.0214 without restraints) Performing minimization step: 3794. Total energy = 2819.8105 kcal/mol (2812.3073 without restraints) Performing minimization step: 3795. Total energy = 2819.0951 kcal/mol (2811.5936 without restraints) Performing minimization step: 3796. Total energy = 2818.3802 kcal/mol (2810.8804 without restraints) Performing minimization step: 3797. Total energy = 2817.6661 kcal/mol (2810.1681 without restraints) Performing minimization step: 3798. Total energy = 2816.9525 kcal/mol (2809.4561 without restraints) Performing minimization step: 3799. Total energy = 2816.2396 kcal/mol (2808.7448 without restraints) Performing minimization step: 3800. Total energy = 2815.5271 kcal/mol (2808.0339 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3801. Total energy = 2814.8154 kcal/mol (2807.3238 without restraints) Performing minimization step: 3802. Total energy = 2814.1037 kcal/mol (2806.6137 without restraints) Performing minimization step: 3803. Total energy = 2813.3925 kcal/mol (2805.9041 without restraints) Performing minimization step: 3804. Total energy = 2812.6818 kcal/mol (2805.1951 without restraints) Performing minimization step: 3805. Total energy = 2811.9727 kcal/mol (2804.4877 without restraints) Performing minimization step: 3806. Total energy = 2811.2628 kcal/mol (2803.7793 without restraints) Performing minimization step: 3807. Total energy = 2810.5544 kcal/mol (2803.0727 without restraints) Performing minimization step: 3808. Total energy = 2809.8462 kcal/mol (2802.3660 without restraints) Performing minimization step: 3809. Total energy = 2809.1380 kcal/mol (2801.6594 without restraints) Performing minimization step: 3810. Total energy = 2808.4307 kcal/mol (2800.9538 without restraints) Performing minimization step: 3811. Total energy = 2807.7241 kcal/mol (2800.2488 without restraints) Performing minimization step: 3812. Total energy = 2807.0175 kcal/mol (2799.5439 without restraints) Performing minimization step: 3813. Total energy = 2806.3117 kcal/mol (2798.8398 without restraints) Performing minimization step: 3814. Total energy = 2805.6064 kcal/mol (2798.1360 without restraints) Performing minimization step: 3815. Total energy = 2804.9017 kcal/mol (2797.4328 without restraints) Performing minimization step: 3816. Total energy = 2804.1974 kcal/mol (2796.7304 without restraints) Performing minimization step: 3817. Total energy = 2803.4940 kcal/mol (2796.0286 without restraints) Performing minimization step: 3818. Total energy = 2802.7913 kcal/mol (2795.3274 without restraints) Performing minimization step: 3819. Total energy = 2802.0886 kcal/mol (2794.6263 without restraints) Performing minimization step: 3820. Total energy = 2801.3865 kcal/mol (2793.9260 without restraints) Performing minimization step: 3821. Total energy = 2800.6851 kcal/mol (2793.2261 without restraints) Performing minimization step: 3822. Total energy = 2799.9842 kcal/mol (2792.5268 without restraints) Performing minimization step: 3823. Total energy = 2799.2836 kcal/mol (2791.8278 without restraints) Performing minimization step: 3824. Total energy = 2798.5835 kcal/mol (2791.1294 without restraints) Performing minimization step: 3825. Total energy = 2797.8838 kcal/mol (2790.4312 without restraints) Performing minimization step: 3826. Total energy = 2797.1849 kcal/mol (2789.7340 without restraints) Performing minimization step: 3827. Total energy = 2796.4860 kcal/mol (2789.0367 without restraints) Performing minimization step: 3828. Total energy = 2795.7880 kcal/mol (2788.3404 without restraints) Performing minimization step: 3829. Total energy = 2795.0907 kcal/mol (2787.6445 without restraints) Performing minimization step: 3830. Total energy = 2794.3938 kcal/mol (2786.9494 without restraints) Performing minimization step: 3831. Total energy = 2793.6977 kcal/mol (2786.2549 without restraints) Performing minimization step: 3832. Total energy = 2793.0020 kcal/mol (2785.5608 without restraints) Performing minimization step: 3833. Total energy = 2792.3068 kcal/mol (2784.8673 without restraints) Performing minimization step: 3834. Total energy = 2791.6123 kcal/mol (2784.1743 without restraints) Performing minimization step: 3835. Total energy = 2790.9181 kcal/mol (2783.4816 without restraints) Performing minimization step: 3836. Total energy = 2790.2245 kcal/mol (2782.7899 without restraints) Performing minimization step: 3837. Total energy = 2789.5314 kcal/mol (2782.0984 without restraints) Performing minimization step: 3838. Total energy = 2788.8395 kcal/mol (2781.4080 without restraints) Performing minimization step: 3839. Total energy = 2788.1471 kcal/mol (2780.7172 without restraints) Performing minimization step: 3840. Total energy = 2787.4554 kcal/mol (2780.0271 without restraints) Performing minimization step: 3841. Total energy = 2786.7643 kcal/mol (2779.3376 without restraints) Performing minimization step: 3842. Total energy = 2786.0735 kcal/mol (2778.6484 without restraints) Performing minimization step: 3843. Total energy = 2785.3840 kcal/mol (2777.9606 without restraints) Performing minimization step: 3844. Total energy = 2784.6944 kcal/mol (2777.2725 without restraints) Performing minimization step: 3845. Total energy = 2784.0052 kcal/mol (2776.5848 without restraints) Performing minimization step: 3846. Total energy = 2783.3166 kcal/mol (2775.8980 without restraints) Performing minimization step: 3847. Total energy = 2782.6286 kcal/mol (2775.2116 without restraints) Performing minimization step: 3848. Total energy = 2781.9414 kcal/mol (2774.5260 without restraints) Performing minimization step: 3849. Total energy = 2781.2545 kcal/mol (2773.8407 without restraints) Performing minimization step: 3850. Total energy = 2780.5678 kcal/mol (2773.1556 without restraints) Performing minimization step: 3851. Total energy = 2779.8816 kcal/mol (2772.4710 without restraints) Performing minimization step: 3852. Total energy = 2779.1964 kcal/mol (2771.7874 without restraints) Performing minimization step: 3853. Total energy = 2778.5115 kcal/mol (2771.1042 without restraints) Performing minimization step: 3854. Total energy = 2777.8272 kcal/mol (2770.4214 without restraints) Performing minimization step: 3855. Total energy = 2777.1436 kcal/mol (2769.7395 without restraints) Performing minimization step: 3856. Total energy = 2776.4605 kcal/mol (2769.0579 without restraints) Performing minimization step: 3857. Total energy = 2775.7777 kcal/mol (2768.3768 without restraints) Performing minimization step: 3858. Total energy = 2775.0956 kcal/mol (2767.6963 without restraints) Performing minimization step: 3859. Total energy = 2774.4143 kcal/mol (2767.0165 without restraints) Performing minimization step: 3860. Total energy = 2773.7330 kcal/mol (2766.3368 without restraints) Performing minimization step: 3861. Total energy = 2773.0522 kcal/mol (2765.6576 without restraints) Performing minimization step: 3862. Total energy = 2772.3720 kcal/mol (2764.9790 without restraints) Performing minimization step: 3863. Total energy = 2771.6922 kcal/mol (2764.3008 without restraints) Performing minimization step: 3864. Total energy = 2771.0127 kcal/mol (2763.6227 without restraints) Performing minimization step: 3865. Total energy = 2770.3338 kcal/mol (2762.9455 without restraints) Performing minimization step: 3866. Total energy = 2769.6558 kcal/mol (2762.2691 without restraints) Performing minimization step: 3867. Total energy = 2768.9787 kcal/mol (2761.5936 without restraints) Performing minimization step: 3868. Total energy = 2768.3017 kcal/mol (2760.9182 without restraints) Performing minimization step: 3869. Total energy = 2767.6253 kcal/mol (2760.2436 without restraints) Performing minimization step: 3870. Total energy = 2766.9492 kcal/mol (2759.5689 without restraints) Performing minimization step: 3871. Total energy = 2766.2739 kcal/mol (2758.8954 without restraints) Performing minimization step: 3872. Total energy = 2765.5992 kcal/mol (2758.2222 without restraints) Performing minimization step: 3873. Total energy = 2764.9249 kcal/mol (2757.5494 without restraints) Performing minimization step: 3874. Total energy = 2764.2509 kcal/mol (2756.8771 without restraints) Performing minimization step: 3875. Total energy = 2763.5772 kcal/mol (2756.2049 without restraints) Performing minimization step: 3876. Total energy = 2762.9043 kcal/mol (2755.5337 without restraints) Performing minimization step: 3877. Total energy = 2762.2321 kcal/mol (2754.8631 without restraints) Performing minimization step: 3878. Total energy = 2761.5602 kcal/mol (2754.1926 without restraints) Performing minimization step: 3879. Total energy = 2760.8886 kcal/mol (2753.5226 without restraints) Performing minimization step: 3880. Total energy = 2760.2174 kcal/mol (2752.8531 without restraints) Performing minimization step: 3881. Total energy = 2759.5468 kcal/mol (2752.1840 without restraints) Performing minimization step: 3882. Total energy = 2758.8770 kcal/mol (2751.5157 without restraints) Performing minimization step: 3883. Total energy = 2758.2078 kcal/mol (2750.8482 without restraints) Performing minimization step: 3884. Total energy = 2757.5388 kcal/mol (2750.1807 without restraints) Performing minimization step: 3885. Total energy = 2756.8707 kcal/mol (2749.5142 without restraints) Performing minimization step: 3886. Total energy = 2756.2031 kcal/mol (2748.8484 without restraints) Performing minimization step: 3887. Total energy = 2755.5360 kcal/mol (2748.1826 without restraints) Performing minimization step: 3888. Total energy = 2754.8693 kcal/mol (2747.5176 without restraints) Performing minimization step: 3889. Total energy = 2754.2030 kcal/mol (2746.8528 without restraints) Performing minimization step: 3890. Total energy = 2753.5372 kcal/mol (2746.1885 without restraints) Performing minimization step: 3891. Total energy = 2752.8724 kcal/mol (2745.5254 without restraints) Performing minimization step: 3892. Total energy = 2752.2075 kcal/mol (2744.8620 without restraints) Performing minimization step: 3893. Total energy = 2751.5430 kcal/mol (2744.1991 without restraints) Performing minimization step: 3894. Total energy = 2750.8790 kcal/mol (2743.5366 without restraints) Performing minimization step: 3895. Total energy = 2750.2158 kcal/mol (2742.8750 without restraints) Performing minimization step: 3896. Total energy = 2749.5528 kcal/mol (2742.2136 without restraints) Performing minimization step: 3897. Total energy = 2748.8904 kcal/mol (2741.5527 without restraints) Performing minimization step: 3898. Total energy = 2748.2285 kcal/mol (2740.8924 without restraints) Performing minimization step: 3899. Total energy = 2747.5672 kcal/mol (2740.2327 without restraints) Performing minimization step: 3900. Total energy = 2746.9063 kcal/mol (2739.5733 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 3901. Total energy = 2746.2456 kcal/mol (2738.9142 without restraints) Performing minimization step: 3902. Total energy = 2745.5854 kcal/mol (2738.2555 without restraints) Performing minimization step: 3903. Total energy = 2744.9259 kcal/mol (2737.5978 without restraints) Performing minimization step: 3904. Total energy = 2744.2671 kcal/mol (2736.9404 without restraints) Performing minimization step: 3905. Total energy = 2743.6087 kcal/mol (2736.2836 without restraints) Performing minimization step: 3906. Total energy = 2742.9508 kcal/mol (2735.6273 without restraints) Performing minimization step: 3907. Total energy = 2742.2933 kcal/mol (2734.9714 without restraints) Performing minimization step: 3908. Total energy = 2741.6361 kcal/mol (2734.3157 without restraints) Performing minimization step: 3909. Total energy = 2740.9800 kcal/mol (2733.6611 without restraints) Performing minimization step: 3910. Total energy = 2740.3238 kcal/mol (2733.0064 without restraints) Performing minimization step: 3911. Total energy = 2739.6681 kcal/mol (2732.3524 without restraints) Performing minimization step: 3912. Total energy = 2739.0129 kcal/mol (2731.6987 without restraints) Performing minimization step: 3913. Total energy = 2738.3590 kcal/mol (2731.0464 without restraints) Performing minimization step: 3914. Total energy = 2737.7052 kcal/mol (2730.3941 without restraints) Performing minimization step: 3915. Total energy = 2737.0515 kcal/mol (2729.7419 without restraints) Performing minimization step: 3916. Total energy = 2736.3985 kcal/mol (2729.0907 without restraints) Performing minimization step: 3917. Total energy = 2735.7471 kcal/mol (2728.4409 without restraints) Performing minimization step: 3918. Total energy = 2735.0954 kcal/mol (2727.7906 without restraints) Performing minimization step: 3919. Total energy = 2734.4439 kcal/mol (2727.1407 without restraints) Performing minimization step: 3920. Total energy = 2733.7933 kcal/mol (2726.4916 without restraints) Performing minimization step: 3921. Total energy = 2733.1427 kcal/mol (2725.8425 without restraints) Performing minimization step: 3922. Total energy = 2732.4929 kcal/mol (2725.1943 without restraints) Performing minimization step: 3923. Total energy = 2731.8437 kcal/mol (2724.5466 without restraints) Performing minimization step: 3924. Total energy = 2731.1951 kcal/mol (2723.8996 without restraints) Performing minimization step: 3925. Total energy = 2730.5465 kcal/mol (2723.2525 without restraints) Performing minimization step: 3926. Total energy = 2729.8991 kcal/mol (2722.6066 without restraints) Performing minimization step: 3927. Total energy = 2729.2514 kcal/mol (2721.9605 without restraints) Performing minimization step: 3928. Total energy = 2728.6041 kcal/mol (2721.3147 without restraints) Performing minimization step: 3929. Total energy = 2727.9580 kcal/mol (2720.6701 without restraints) Performing minimization step: 3930. Total energy = 2727.3118 kcal/mol (2720.0255 without restraints) Performing minimization step: 3931. Total energy = 2726.6661 kcal/mol (2719.3812 without restraints) Performing minimization step: 3932. Total energy = 2726.0207 kcal/mol (2718.7378 without restraints) Performing minimization step: 3933. Total energy = 2725.3763 kcal/mol (2718.0946 without restraints) Performing minimization step: 3934. Total energy = 2724.7319 kcal/mol (2717.4518 without restraints) Performing minimization step: 3935. Total energy = 2724.0881 kcal/mol (2716.8095 without restraints) Performing minimization step: 3936. Total energy = 2723.4448 kcal/mol (2716.1677 without restraints) Performing minimization step: 3937. Total energy = 2722.8019 kcal/mol (2715.5264 without restraints) Performing minimization step: 3938. Total energy = 2722.1595 kcal/mol (2714.8854 without restraints) Performing minimization step: 3939. Total energy = 2721.5177 kcal/mol (2714.2452 without restraints) Performing minimization step: 3940. Total energy = 2720.8764 kcal/mol (2713.6054 without restraints) Performing minimization step: 3941. Total energy = 2720.2356 kcal/mol (2712.9663 without restraints) Performing minimization step: 3942. Total energy = 2719.5952 kcal/mol (2712.3273 without restraints) Performing minimization step: 3943. Total energy = 2718.9550 kcal/mol (2711.6886 without restraints) Performing minimization step: 3944. Total energy = 2718.3154 kcal/mol (2711.0506 without restraints) Performing minimization step: 3945. Total energy = 2717.6765 kcal/mol (2710.4132 without restraints) Performing minimization step: 3946. Total energy = 2717.0379 kcal/mol (2709.7762 without restraints) Performing minimization step: 3947. Total energy = 2716.4002 kcal/mol (2709.1401 without restraints) Performing minimization step: 3948. Total energy = 2715.7629 kcal/mol (2708.5042 without restraints) Performing minimization step: 3949. Total energy = 2715.1259 kcal/mol (2707.8688 without restraints) Performing minimization step: 3950. Total energy = 2714.4895 kcal/mol (2707.2338 without restraints) Performing minimization step: 3951. Total energy = 2713.8538 kcal/mol (2706.5997 without restraints) Performing minimization step: 3952. Total energy = 2713.2181 kcal/mol (2705.9655 without restraints) Performing minimization step: 3953. Total energy = 2712.5826 kcal/mol (2705.3316 without restraints) Performing minimization step: 3954. Total energy = 2711.9479 kcal/mol (2704.6984 without restraints) Performing minimization step: 3955. Total energy = 2711.3138 kcal/mol (2704.0658 without restraints) Performing minimization step: 3956. Total energy = 2710.6801 kcal/mol (2703.4336 without restraints) Performing minimization step: 3957. Total energy = 2710.0467 kcal/mol (2702.8018 without restraints) Performing minimization step: 3958. Total energy = 2709.4141 kcal/mol (2702.1707 without restraints) Performing minimization step: 3959. Total energy = 2708.7822 kcal/mol (2701.5404 without restraints) Performing minimization step: 3960. Total energy = 2708.1509 kcal/mol (2700.9105 without restraints) Performing minimization step: 3961. Total energy = 2707.5198 kcal/mol (2700.2809 without restraints) Performing minimization step: 3962. Total energy = 2706.8887 kcal/mol (2699.6514 without restraints) Performing minimization step: 3963. Total energy = 2706.2582 kcal/mol (2699.0223 without restraints) Performing minimization step: 3964. Total energy = 2705.6280 kcal/mol (2698.3937 without restraints) Performing minimization step: 3965. Total energy = 2704.9983 kcal/mol (2697.7655 without restraints) Performing minimization step: 3966. Total energy = 2704.3693 kcal/mol (2697.1380 without restraints) Performing minimization step: 3967. Total energy = 2703.7408 kcal/mol (2696.5111 without restraints) Performing minimization step: 3968. Total energy = 2703.1126 kcal/mol (2695.8843 without restraints) Performing minimization step: 3969. Total energy = 2702.4851 kcal/mol (2695.2583 without restraints) Performing minimization step: 3970. Total energy = 2701.8577 kcal/mol (2694.6325 without restraints) Performing minimization step: 3971. Total energy = 2701.2309 kcal/mol (2694.0071 without restraints) Performing minimization step: 3972. Total energy = 2700.6046 kcal/mol (2693.3823 without restraints) Performing minimization step: 3973. Total energy = 2699.9791 kcal/mol (2692.7584 without restraints) Performing minimization step: 3974. Total energy = 2699.3541 kcal/mol (2692.1351 without restraints) Performing minimization step: 3975. Total energy = 2698.7294 kcal/mol (2691.5117 without restraints) Performing minimization step: 3976. Total energy = 2698.1056 kcal/mol (2690.8896 without restraints) Performing minimization step: 3977. Total energy = 2697.4818 kcal/mol (2690.2674 without restraints) Performing minimization step: 3978. Total energy = 2696.8582 kcal/mol (2689.6449 without restraints) Performing minimization step: 3979. Total energy = 2696.2349 kcal/mol (2689.0232 without restraints) Performing minimization step: 3980. Total energy = 2695.6125 kcal/mol (2688.4023 without restraints) Performing minimization step: 3981. Total energy = 2694.9904 kcal/mol (2687.7819 without restraints) Performing minimization step: 3982. Total energy = 2694.3687 kcal/mol (2687.1613 without restraints) Performing minimization step: 3983. Total energy = 2693.7473 kcal/mol (2686.5417 without restraints) Performing minimization step: 3984. Total energy = 2693.1269 kcal/mol (2685.9227 without restraints) Performing minimization step: 3985. Total energy = 2692.5064 kcal/mol (2685.3038 without restraints) Performing minimization step: 3986. Total energy = 2691.8867 kcal/mol (2684.6855 without restraints) Performing minimization step: 3987. Total energy = 2691.2671 kcal/mol (2684.0674 without restraints) Performing minimization step: 3988. Total energy = 2690.6481 kcal/mol (2683.4500 without restraints) Performing minimization step: 3989. Total energy = 2690.0296 kcal/mol (2682.8329 without restraints) Performing minimization step: 3990. Total energy = 2689.4112 kcal/mol (2682.2161 without restraints) Performing minimization step: 3991. Total energy = 2688.7941 kcal/mol (2681.6005 without restraints) Performing minimization step: 3992. Total energy = 2688.1769 kcal/mol (2680.9847 without restraints) Performing minimization step: 3993. Total energy = 2687.5602 kcal/mol (2680.3695 without restraints) Performing minimization step: 3994. Total energy = 2686.9442 kcal/mol (2679.7550 without restraints) Performing minimization step: 3995. Total energy = 2686.3288 kcal/mol (2679.1411 without restraints) Performing minimization step: 3996. Total energy = 2685.7135 kcal/mol (2678.5272 without restraints) Performing minimization step: 3997. Total energy = 2685.0983 kcal/mol (2677.9136 without restraints) Performing minimization step: 3998. Total energy = 2684.4838 kcal/mol (2677.3006 without restraints) Performing minimization step: 3999. Total energy = 2683.8697 kcal/mol (2676.6879 without restraints) Performing minimization step: 4000. Total energy = 2683.2560 kcal/mol (2676.0758 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4001. Total energy = 2682.6428 kcal/mol (2675.4640 without restraints) Performing minimization step: 4002. Total energy = 2682.0296 kcal/mol (2674.8523 without restraints) Performing minimization step: 4003. Total energy = 2681.4174 kcal/mol (2674.2415 without restraints) Performing minimization step: 4004. Total energy = 2680.8055 kcal/mol (2673.6312 without restraints) Performing minimization step: 4005. Total energy = 2680.1941 kcal/mol (2673.0213 without restraints) Performing minimization step: 4006. Total energy = 2679.5831 kcal/mol (2672.4117 without restraints) Performing minimization step: 4007. Total energy = 2678.9726 kcal/mol (2671.8027 without restraints) Performing minimization step: 4008. Total energy = 2678.3624 kcal/mol (2671.1944 without restraints) Performing minimization step: 4009. Total energy = 2677.7533 kcal/mol (2670.5863 without restraints) Performing minimization step: 4010. Total energy = 2677.1442 kcal/mol (2669.9787 without restraints) Performing minimization step: 4011. Total energy = 2676.5351 kcal/mol (2669.3712 without restraints) Performing minimization step: 4012. Total energy = 2675.9270 kcal/mol (2668.7645 without restraints) Performing minimization step: 4013. Total energy = 2675.3190 kcal/mol (2668.1580 without restraints) Performing minimization step: 4014. Total energy = 2674.7118 kcal/mol (2667.5522 without restraints) Performing minimization step: 4015. Total energy = 2674.1049 kcal/mol (2666.9469 without restraints) Performing minimization step: 4016. Total energy = 2673.4988 kcal/mol (2666.3422 without restraints) Performing minimization step: 4017. Total energy = 2672.8926 kcal/mol (2665.7375 without restraints) Performing minimization step: 4018. Total energy = 2672.2875 kcal/mol (2665.1338 without restraints) Performing minimization step: 4019. Total energy = 2671.6822 kcal/mol (2664.5300 without restraints) Performing minimization step: 4020. Total energy = 2671.0773 kcal/mol (2663.9266 without restraints) Performing minimization step: 4021. Total energy = 2670.4732 kcal/mol (2663.3241 without restraints) Performing minimization step: 4022. Total energy = 2669.8693 kcal/mol (2662.7215 without restraints) Performing minimization step: 4023. Total energy = 2669.2666 kcal/mol (2662.1203 without restraints) Performing minimization step: 4024. Total energy = 2668.6639 kcal/mol (2661.5191 without restraints) Performing minimization step: 4025. Total energy = 2668.0612 kcal/mol (2660.9179 without restraints) Performing minimization step: 4026. Total energy = 2667.4590 kcal/mol (2660.3171 without restraints) Performing minimization step: 4027. Total energy = 2666.8570 kcal/mol (2659.7165 without restraints) Performing minimization step: 4028. Total energy = 2666.2555 kcal/mol (2659.1166 without restraints) Performing minimization step: 4029. Total energy = 2665.6544 kcal/mol (2658.5170 without restraints) Performing minimization step: 4030. Total energy = 2665.0541 kcal/mol (2657.9179 without restraints) Performing minimization step: 4031. Total energy = 2664.4539 kcal/mol (2657.3193 without restraints) Performing minimization step: 4032. Total energy = 2663.8542 kcal/mol (2656.7211 without restraints) Performing minimization step: 4033. Total energy = 2663.2550 kcal/mol (2656.1233 without restraints) Performing minimization step: 4034. Total energy = 2662.6563 kcal/mol (2655.5260 without restraints) Performing minimization step: 4035. Total energy = 2662.0579 kcal/mol (2654.9293 without restraints) Performing minimization step: 4036. Total energy = 2661.4599 kcal/mol (2654.3326 without restraints) Performing minimization step: 4037. Total energy = 2660.8628 kcal/mol (2653.7370 without restraints) Performing minimization step: 4038. Total energy = 2660.2658 kcal/mol (2653.1414 without restraints) Performing minimization step: 4039. Total energy = 2659.6691 kcal/mol (2652.5462 without restraints) Performing minimization step: 4040. Total energy = 2659.0730 kcal/mol (2651.9516 without restraints) Performing minimization step: 4041. Total energy = 2658.4771 kcal/mol (2651.3571 without restraints) Performing minimization step: 4042. Total energy = 2657.8815 kcal/mol (2650.7630 without restraints) Performing minimization step: 4043. Total energy = 2657.2864 kcal/mol (2650.1692 without restraints) Performing minimization step: 4044. Total energy = 2656.6917 kcal/mol (2649.5761 without restraints) Performing minimization step: 4045. Total energy = 2656.0980 kcal/mol (2648.9838 without restraints) Performing minimization step: 4046. Total energy = 2655.5043 kcal/mol (2648.3915 without restraints) Performing minimization step: 4047. Total energy = 2654.9112 kcal/mol (2647.7999 without restraints) Performing minimization step: 4048. Total energy = 2654.3181 kcal/mol (2647.2082 without restraints) Performing minimization step: 4049. Total energy = 2653.7256 kcal/mol (2646.6173 without restraints) Performing minimization step: 4050. Total energy = 2653.1336 kcal/mol (2646.0266 without restraints) Performing minimization step: 4051. Total energy = 2652.5422 kcal/mol (2645.4367 without restraints) Performing minimization step: 4052. Total energy = 2651.9510 kcal/mol (2644.8469 without restraints) Performing minimization step: 4053. Total energy = 2651.3603 kcal/mol (2644.2577 without restraints) Performing minimization step: 4054. Total energy = 2650.7700 kcal/mol (2643.6688 without restraints) Performing minimization step: 4055. Total energy = 2650.1800 kcal/mol (2643.0803 without restraints) Performing minimization step: 4056. Total energy = 2649.5905 kcal/mol (2642.4922 without restraints) Performing minimization step: 4057. Total energy = 2649.0014 kcal/mol (2641.9045 without restraints) Performing minimization step: 4058. Total energy = 2648.4129 kcal/mol (2641.3174 without restraints) Performing minimization step: 4059. Total energy = 2647.8247 kcal/mol (2640.7308 without restraints) Performing minimization step: 4060. Total energy = 2647.2372 kcal/mol (2640.1447 without restraints) Performing minimization step: 4061. Total energy = 2646.6502 kcal/mol (2639.5591 without restraints) Performing minimization step: 4062. Total energy = 2646.0638 kcal/mol (2638.9742 without restraints) Performing minimization step: 4063. Total energy = 2645.4773 kcal/mol (2638.3891 without restraints) Performing minimization step: 4064. Total energy = 2644.8911 kcal/mol (2637.8043 without restraints) Performing minimization step: 4065. Total energy = 2644.3055 kcal/mol (2637.2201 without restraints) Performing minimization step: 4066. Total energy = 2643.7208 kcal/mol (2636.6368 without restraints) Performing minimization step: 4067. Total energy = 2643.1360 kcal/mol (2636.0536 without restraints) Performing minimization step: 4068. Total energy = 2642.5515 kcal/mol (2635.4704 without restraints) Performing minimization step: 4069. Total energy = 2641.9680 kcal/mol (2634.8884 without restraints) Performing minimization step: 4070. Total energy = 2641.3843 kcal/mol (2634.3061 without restraints) Performing minimization step: 4071. Total energy = 2640.8012 kcal/mol (2633.7246 without restraints) Performing minimization step: 4072. Total energy = 2640.2187 kcal/mol (2633.1434 without restraints) Performing minimization step: 4073. Total energy = 2639.6368 kcal/mol (2632.5628 without restraints) Performing minimization step: 4074. Total energy = 2639.0550 kcal/mol (2631.9824 without restraints) Performing minimization step: 4075. Total energy = 2638.4738 kcal/mol (2631.4026 without restraints) Performing minimization step: 4076. Total energy = 2637.8924 kcal/mol (2630.8228 without restraints) Performing minimization step: 4077. Total energy = 2637.3113 kcal/mol (2630.2431 without restraints) Performing minimization step: 4078. Total energy = 2636.7311 kcal/mol (2629.6643 without restraints) Performing minimization step: 4079. Total energy = 2636.1510 kcal/mol (2629.0856 without restraints) Performing minimization step: 4080. Total energy = 2635.5716 kcal/mol (2628.5076 without restraints) Performing minimization step: 4081. Total energy = 2634.9926 kcal/mol (2627.9301 without restraints) Performing minimization step: 4082. Total energy = 2634.4139 kcal/mol (2627.3528 without restraints) Performing minimization step: 4083. Total energy = 2633.8354 kcal/mol (2626.7757 without restraints) Performing minimization step: 4084. Total energy = 2633.2576 kcal/mol (2626.1993 without restraints) Performing minimization step: 4085. Total energy = 2632.6800 kcal/mol (2625.6231 without restraints) Performing minimization step: 4086. Total energy = 2632.1030 kcal/mol (2625.0476 without restraints) Performing minimization step: 4087. Total energy = 2631.5266 kcal/mol (2624.4726 without restraints) Performing minimization step: 4088. Total energy = 2630.9503 kcal/mol (2623.8974 without restraints) Performing minimization step: 4089. Total energy = 2630.3744 kcal/mol (2623.3231 without restraints) Performing minimization step: 4090. Total energy = 2629.7989 kcal/mol (2622.7491 without restraints) Performing minimization step: 4091. Total energy = 2629.2235 kcal/mol (2622.1751 without restraints) Performing minimization step: 4092. Total energy = 2628.6489 kcal/mol (2621.6022 without restraints) Performing minimization step: 4093. Total energy = 2628.0748 kcal/mol (2621.0292 without restraints) Performing minimization step: 4094. Total energy = 2627.5009 kcal/mol (2620.4568 without restraints) Performing minimization step: 4095. Total energy = 2626.9271 kcal/mol (2619.8844 without restraints) Performing minimization step: 4096. Total energy = 2626.3546 kcal/mol (2619.3132 without restraints) Performing minimization step: 4097. Total energy = 2625.7817 kcal/mol (2618.7417 without restraints) Performing minimization step: 4098. Total energy = 2625.2101 kcal/mol (2618.1715 without restraints) Performing minimization step: 4099. Total energy = 2624.6383 kcal/mol (2617.6012 without restraints) Performing minimization step: 4100. Total energy = 2624.0667 kcal/mol (2617.0309 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4101. Total energy = 2623.4954 kcal/mol (2616.4610 without restraints) Performing minimization step: 4102. Total energy = 2622.9245 kcal/mol (2615.8916 without restraints) Performing minimization step: 4103. Total energy = 2622.3541 kcal/mol (2615.3225 without restraints) Performing minimization step: 4104. Total energy = 2621.7847 kcal/mol (2614.7545 without restraints) Performing minimization step: 4105. Total energy = 2621.2150 kcal/mol (2614.1863 without restraints) Performing minimization step: 4106. Total energy = 2620.6458 kcal/mol (2613.6185 without restraints) Performing minimization step: 4107. Total energy = 2620.0771 kcal/mol (2613.0512 without restraints) Performing minimization step: 4108. Total energy = 2619.5093 kcal/mol (2612.4847 without restraints) Performing minimization step: 4109. Total energy = 2618.9411 kcal/mol (2611.9178 without restraints) Performing minimization step: 4110. Total energy = 2618.3734 kcal/mol (2611.3516 without restraints) Performing minimization step: 4111. Total energy = 2617.8061 kcal/mol (2610.7858 without restraints) Performing minimization step: 4112. Total energy = 2617.2397 kcal/mol (2610.2209 without restraints) Performing minimization step: 4113. Total energy = 2616.6733 kcal/mol (2609.6558 without restraints) Performing minimization step: 4114. Total energy = 2616.1075 kcal/mol (2609.0913 without restraints) Performing minimization step: 4115. Total energy = 2615.5418 kcal/mol (2608.5270 without restraints) Performing minimization step: 4116. Total energy = 2614.9763 kcal/mol (2607.9630 without restraints) Performing minimization step: 4117. Total energy = 2614.4112 kcal/mol (2607.3992 without restraints) Performing minimization step: 4118. Total energy = 2613.8469 kcal/mol (2606.8363 without restraints) Performing minimization step: 4119. Total energy = 2613.2831 kcal/mol (2606.2738 without restraints) Performing minimization step: 4120. Total energy = 2612.7195 kcal/mol (2605.7117 without restraints) Performing minimization step: 4121. Total energy = 2612.1564 kcal/mol (2605.1500 without restraints) Performing minimization step: 4122. Total energy = 2611.5937 kcal/mol (2604.5887 without restraints) Performing minimization step: 4123. Total energy = 2611.0310 kcal/mol (2604.0274 without restraints) Performing minimization step: 4124. Total energy = 2610.4685 kcal/mol (2603.4663 without restraints) Performing minimization step: 4125. Total energy = 2609.9071 kcal/mol (2602.9064 without restraints) Performing minimization step: 4126. Total energy = 2609.3457 kcal/mol (2602.3463 without restraints) Performing minimization step: 4127. Total energy = 2608.7851 kcal/mol (2601.7871 without restraints) Performing minimization step: 4128. Total energy = 2608.2245 kcal/mol (2601.2278 without restraints) Performing minimization step: 4129. Total energy = 2607.6644 kcal/mol (2600.6690 without restraints) Performing minimization step: 4130. Total energy = 2607.1048 kcal/mol (2600.1108 without restraints) Performing minimization step: 4131. Total energy = 2606.5453 kcal/mol (2599.5527 without restraints) Performing minimization step: 4132. Total energy = 2605.9862 kcal/mol (2598.9949 without restraints) Performing minimization step: 4133. Total energy = 2605.4277 kcal/mol (2598.4380 without restraints) Performing minimization step: 4134. Total energy = 2604.8694 kcal/mol (2597.8809 without restraints) Performing minimization step: 4135. Total energy = 2604.3114 kcal/mol (2597.3243 without restraints) Performing minimization step: 4136. Total energy = 2603.7537 kcal/mol (2596.7680 without restraints) Performing minimization step: 4137. Total energy = 2603.1964 kcal/mol (2596.2120 without restraints) Performing minimization step: 4138. Total energy = 2602.6391 kcal/mol (2595.6561 without restraints) Performing minimization step: 4139. Total energy = 2602.0827 kcal/mol (2595.1011 without restraints) Performing minimization step: 4140. Total energy = 2601.5262 kcal/mol (2594.5458 without restraints) Performing minimization step: 4141. Total energy = 2600.9707 kcal/mol (2593.9919 without restraints) Performing minimization step: 4142. Total energy = 2600.4155 kcal/mol (2593.4379 without restraints) Performing minimization step: 4143. Total energy = 2599.8604 kcal/mol (2592.8842 without restraints) Performing minimization step: 4144. Total energy = 2599.3062 kcal/mol (2592.3314 without restraints) Performing minimization step: 4145. Total energy = 2598.7521 kcal/mol (2591.7787 without restraints) Performing minimization step: 4146. Total energy = 2598.1982 kcal/mol (2591.2261 without restraints) Performing minimization step: 4147. Total energy = 2597.6448 kcal/mol (2590.6741 without restraints) Performing minimization step: 4148. Total energy = 2597.0917 kcal/mol (2590.1224 without restraints) Performing minimization step: 4149. Total energy = 2596.5393 kcal/mol (2589.5713 without restraints) Performing minimization step: 4150. Total energy = 2595.9877 kcal/mol (2589.0210 without restraints) Performing minimization step: 4151. Total energy = 2595.4356 kcal/mol (2588.4705 without restraints) Performing minimization step: 4152. Total energy = 2594.8835 kcal/mol (2587.9195 without restraints) Performing minimization step: 4153. Total energy = 2594.3323 kcal/mol (2587.3698 without restraints) Performing minimization step: 4154. Total energy = 2593.7814 kcal/mol (2586.8202 without restraints) Performing minimization step: 4155. Total energy = 2593.2310 kcal/mol (2586.2712 without restraints) Performing minimization step: 4156. Total energy = 2592.6809 kcal/mol (2585.7224 without restraints) Performing minimization step: 4157. Total energy = 2592.1310 kcal/mol (2585.1739 without restraints) Performing minimization step: 4158. Total energy = 2591.5818 kcal/mol (2584.6261 without restraints) Performing minimization step: 4159. Total energy = 2591.0338 kcal/mol (2584.0794 without restraints) Performing minimization step: 4160. Total energy = 2590.4856 kcal/mol (2583.5326 without restraints) Performing minimization step: 4161. Total energy = 2589.9376 kcal/mol (2582.9859 without restraints) Performing minimization step: 4162. Total energy = 2589.3896 kcal/mol (2582.4392 without restraints) Performing minimization step: 4163. Total energy = 2588.8419 kcal/mol (2581.8930 without restraints) Performing minimization step: 4164. Total energy = 2588.2947 kcal/mol (2581.3472 without restraints) Performing minimization step: 4165. Total energy = 2587.7481 kcal/mol (2580.8019 without restraints) Performing minimization step: 4166. Total energy = 2587.2022 kcal/mol (2580.2573 without restraints) Performing minimization step: 4167. Total energy = 2586.6568 kcal/mol (2579.7135 without restraints) Performing minimization step: 4168. Total energy = 2586.1111 kcal/mol (2579.1689 without restraints) Performing minimization step: 4169. Total energy = 2585.5658 kcal/mol (2578.6249 without restraints) Performing minimization step: 4170. Total energy = 2585.0207 kcal/mol (2578.0811 without restraints) Performing minimization step: 4171. Total energy = 2584.4760 kcal/mol (2577.5378 without restraints) Performing minimization step: 4172. Total energy = 2583.9318 kcal/mol (2576.9950 without restraints) Performing minimization step: 4173. Total energy = 2583.3878 kcal/mol (2576.4523 without restraints) Performing minimization step: 4174. Total energy = 2582.8441 kcal/mol (2575.9100 without restraints) Performing minimization step: 4175. Total energy = 2582.3009 kcal/mol (2575.3681 without restraints) Performing minimization step: 4176. Total energy = 2581.7580 kcal/mol (2574.8265 without restraints) Performing minimization step: 4177. Total energy = 2581.2157 kcal/mol (2574.2856 without restraints) Performing minimization step: 4178. Total energy = 2580.6736 kcal/mol (2573.7448 without restraints) Performing minimization step: 4179. Total energy = 2580.1315 kcal/mol (2573.2039 without restraints) Performing minimization step: 4180. Total energy = 2579.5900 kcal/mol (2572.6638 without restraints) Performing minimization step: 4181. Total energy = 2579.0493 kcal/mol (2572.1245 without restraints) Performing minimization step: 4182. Total energy = 2578.5092 kcal/mol (2571.5857 without restraints) Performing minimization step: 4183. Total energy = 2577.9689 kcal/mol (2571.0467 without restraints) Performing minimization step: 4184. Total energy = 2577.4289 kcal/mol (2570.5081 without restraints) Performing minimization step: 4185. Total energy = 2576.8901 kcal/mol (2569.9706 without restraints) Performing minimization step: 4186. Total energy = 2576.3507 kcal/mol (2569.4326 without restraints) Performing minimization step: 4187. Total energy = 2575.8119 kcal/mol (2568.8952 without restraints) Performing minimization step: 4188. Total energy = 2575.2735 kcal/mol (2568.3581 without restraints) Performing minimization step: 4189. Total energy = 2574.7364 kcal/mol (2567.8223 without restraints) Performing minimization step: 4190. Total energy = 2574.1990 kcal/mol (2567.2861 without restraints) Performing minimization step: 4191. Total energy = 2573.6618 kcal/mol (2566.7504 without restraints) Performing minimization step: 4192. Total energy = 2573.1250 kcal/mol (2566.2148 without restraints) Performing minimization step: 4193. Total energy = 2572.5884 kcal/mol (2565.6795 without restraints) Performing minimization step: 4194. Total energy = 2572.0519 kcal/mol (2565.1444 without restraints) Performing minimization step: 4195. Total energy = 2571.5165 kcal/mol (2564.6106 without restraints) Performing minimization step: 4196. Total energy = 2570.9811 kcal/mol (2564.0764 without restraints) Performing minimization step: 4197. Total energy = 2570.4460 kcal/mol (2563.5424 without restraints) Performing minimization step: 4198. Total energy = 2569.9113 kcal/mol (2563.0091 without restraints) Performing minimization step: 4199. Total energy = 2569.3767 kcal/mol (2562.4758 without restraints) Performing minimization step: 4200. Total energy = 2568.8425 kcal/mol (2561.9430 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4201. Total energy = 2568.3087 kcal/mol (2561.4105 without restraints) Performing minimization step: 4202. Total energy = 2567.7750 kcal/mol (2560.8780 without restraints) Performing minimization step: 4203. Total energy = 2567.2415 kcal/mol (2560.3459 without restraints) Performing minimization step: 4204. Total energy = 2566.7086 kcal/mol (2559.8143 without restraints) Performing minimization step: 4205. Total energy = 2566.1763 kcal/mol (2559.2833 without restraints) Performing minimization step: 4206. Total energy = 2565.6441 kcal/mol (2558.7524 without restraints) Performing minimization step: 4207. Total energy = 2565.1121 kcal/mol (2558.2217 without restraints) Performing minimization step: 4208. Total energy = 2564.5810 kcal/mol (2557.6919 without restraints) Performing minimization step: 4209. Total energy = 2564.0499 kcal/mol (2557.1623 without restraints) Performing minimization step: 4210. Total energy = 2563.5194 kcal/mol (2556.6329 without restraints) Performing minimization step: 4211. Total energy = 2562.9890 kcal/mol (2556.1040 without restraints) Performing minimization step: 4212. Total energy = 2562.4592 kcal/mol (2555.5755 without restraints) Performing minimization step: 4213. Total energy = 2561.9294 kcal/mol (2555.0469 without restraints) Performing minimization step: 4214. Total energy = 2561.4001 kcal/mol (2554.5189 without restraints) Performing minimization step: 4215. Total energy = 2560.8714 kcal/mol (2553.9916 without restraints) Performing minimization step: 4216. Total energy = 2560.3428 kcal/mol (2553.4642 without restraints) Performing minimization step: 4217. Total energy = 2559.8144 kcal/mol (2552.9372 without restraints) Performing minimization step: 4218. Total energy = 2559.2872 kcal/mol (2552.4112 without restraints) Performing minimization step: 4219. Total energy = 2558.7596 kcal/mol (2551.8849 without restraints) Performing minimization step: 4220. Total energy = 2558.2323 kcal/mol (2551.3589 without restraints) Performing minimization step: 4221. Total energy = 2557.7053 kcal/mol (2550.8332 without restraints) Performing minimization step: 4222. Total energy = 2557.1793 kcal/mol (2550.3085 without restraints) Performing minimization step: 4223. Total energy = 2556.6535 kcal/mol (2549.7840 without restraints) Performing minimization step: 4224. Total energy = 2556.1275 kcal/mol (2549.2594 without restraints) Performing minimization step: 4225. Total energy = 2555.6021 kcal/mol (2548.7353 without restraints) Performing minimization step: 4226. Total energy = 2555.0771 kcal/mol (2548.2115 without restraints) Performing minimization step: 4227. Total energy = 2554.5524 kcal/mol (2547.6881 without restraints) Performing minimization step: 4228. Total energy = 2554.0280 kcal/mol (2547.1650 without restraints) Performing minimization step: 4229. Total energy = 2553.5038 kcal/mol (2546.6422 without restraints) Performing minimization step: 4230. Total energy = 2552.9802 kcal/mol (2546.1199 without restraints) Performing minimization step: 4231. Total energy = 2552.4567 kcal/mol (2545.5977 without restraints) Performing minimization step: 4232. Total energy = 2551.9342 kcal/mol (2545.0764 without restraints) Performing minimization step: 4233. Total energy = 2551.4118 kcal/mol (2544.5555 without restraints) Performing minimization step: 4234. Total energy = 2550.8897 kcal/mol (2544.0346 without restraints) Performing minimization step: 4235. Total energy = 2550.3676 kcal/mol (2543.5137 without restraints) Performing minimization step: 4236. Total energy = 2549.8458 kcal/mol (2542.9932 without restraints) Performing minimization step: 4237. Total energy = 2549.3245 kcal/mol (2542.4732 without restraints) Performing minimization step: 4238. Total energy = 2548.8036 kcal/mol (2541.9536 without restraints) Performing minimization step: 4239. Total energy = 2548.2828 kcal/mol (2541.4341 without restraints) Performing minimization step: 4240. Total energy = 2547.7623 kcal/mol (2540.9148 without restraints) Performing minimization step: 4241. Total energy = 2547.2421 kcal/mol (2540.3960 without restraints) Performing minimization step: 4242. Total energy = 2546.7224 kcal/mol (2539.8775 without restraints) Performing minimization step: 4243. Total energy = 2546.2037 kcal/mol (2539.3601 without restraints) Performing minimization step: 4244. Total energy = 2545.6851 kcal/mol (2538.8429 without restraints) Performing minimization step: 4245. Total energy = 2545.1662 kcal/mol (2538.3252 without restraints) Performing minimization step: 4246. Total energy = 2544.6481 kcal/mol (2537.8085 without restraints) Performing minimization step: 4247. Total energy = 2544.1301 kcal/mol (2537.2918 without restraints) Performing minimization step: 4248. Total energy = 2543.6123 kcal/mol (2536.7753 without restraints) Performing minimization step: 4249. Total energy = 2543.0954 kcal/mol (2536.2594 without restraints) Performing minimization step: 4250. Total energy = 2542.5786 kcal/mol (2535.7440 without restraints) Performing minimization step: 4251. Total energy = 2542.0616 kcal/mol (2535.2283 without restraints) Performing minimization step: 4252. Total energy = 2541.5456 kcal/mol (2534.7138 without restraints) Performing minimization step: 4253. Total energy = 2541.0298 kcal/mol (2534.1989 without restraints) Performing minimization step: 4254. Total energy = 2540.5139 kcal/mol (2533.6844 without restraints) Performing minimization step: 4255. Total energy = 2539.9988 kcal/mol (2533.1706 without restraints) Performing minimization step: 4256. Total energy = 2539.4835 kcal/mol (2532.6565 without restraints) Performing minimization step: 4257. Total energy = 2538.9692 kcal/mol (2532.1435 without restraints) Performing minimization step: 4258. Total energy = 2538.4551 kcal/mol (2531.6307 without restraints) Performing minimization step: 4259. Total energy = 2537.9411 kcal/mol (2531.1180 without restraints) Performing minimization step: 4260. Total energy = 2537.4275 kcal/mol (2530.6057 without restraints) Performing minimization step: 4261. Total energy = 2536.9143 kcal/mol (2530.0939 without restraints) Performing minimization step: 4262. Total energy = 2536.4020 kcal/mol (2529.5827 without restraints) Performing minimization step: 4263. Total energy = 2535.8894 kcal/mol (2529.0714 without restraints) Performing minimization step: 4264. Total energy = 2535.3772 kcal/mol (2528.5604 without restraints) Performing minimization step: 4265. Total energy = 2534.8658 kcal/mol (2528.0503 without restraints) Performing minimization step: 4266. Total energy = 2534.3538 kcal/mol (2527.5395 without restraints) Performing minimization step: 4267. Total energy = 2533.8426 kcal/mol (2527.0298 without restraints) Performing minimization step: 4268. Total energy = 2533.3316 kcal/mol (2526.5198 without restraints) Performing minimization step: 4269. Total energy = 2532.8208 kcal/mol (2526.0104 without restraints) Performing minimization step: 4270. Total energy = 2532.3103 kcal/mol (2525.5011 without restraints) Performing minimization step: 4271. Total energy = 2531.8004 kcal/mol (2524.9924 without restraints) Performing minimization step: 4272. Total energy = 2531.2904 kcal/mol (2524.4837 without restraints) Performing minimization step: 4273. Total energy = 2530.7812 kcal/mol (2523.9758 without restraints) Performing minimization step: 4274. Total energy = 2530.2722 kcal/mol (2523.4681 without restraints) Performing minimization step: 4275. Total energy = 2529.7634 kcal/mol (2522.9606 without restraints) Performing minimization step: 4276. Total energy = 2529.2546 kcal/mol (2522.4530 without restraints) Performing minimization step: 4277. Total energy = 2528.7468 kcal/mol (2521.9465 without restraints) Performing minimization step: 4278. Total energy = 2528.2390 kcal/mol (2521.4400 without restraints) Performing minimization step: 4279. Total energy = 2527.7319 kcal/mol (2520.9340 without restraints) Performing minimization step: 4280. Total energy = 2527.2246 kcal/mol (2520.4280 without restraints) Performing minimization step: 4281. Total energy = 2526.7179 kcal/mol (2519.9225 without restraints) Performing minimization step: 4282. Total energy = 2526.2114 kcal/mol (2519.4175 without restraints) Performing minimization step: 4283. Total energy = 2525.7051 kcal/mol (2518.9124 without restraints) Performing minimization step: 4284. Total energy = 2525.1992 kcal/mol (2518.4076 without restraints) Performing minimization step: 4285. Total energy = 2524.6937 kcal/mol (2517.9035 without restraints) Performing minimization step: 4286. Total energy = 2524.1888 kcal/mol (2517.3998 without restraints) Performing minimization step: 4287. Total energy = 2523.6842 kcal/mol (2516.8967 without restraints) Performing minimization step: 4288. Total energy = 2523.1801 kcal/mol (2516.3935 without restraints) Performing minimization step: 4289. Total energy = 2522.6755 kcal/mol (2515.8902 without restraints) Performing minimization step: 4290. Total energy = 2522.1714 kcal/mol (2515.3873 without restraints) Performing minimization step: 4291. Total energy = 2521.6681 kcal/mol (2514.8853 without restraints) Performing minimization step: 4292. Total energy = 2521.1652 kcal/mol (2514.3836 without restraints) Performing minimization step: 4293. Total energy = 2520.6626 kcal/mol (2513.8823 without restraints) Performing minimization step: 4294. Total energy = 2520.1600 kcal/mol (2513.3809 without restraints) Performing minimization step: 4295. Total energy = 2519.6575 kcal/mol (2512.8797 without restraints) Performing minimization step: 4296. Total energy = 2519.1562 kcal/mol (2512.3796 without restraints) Performing minimization step: 4297. Total energy = 2518.6540 kcal/mol (2511.8788 without restraints) Performing minimization step: 4298. Total energy = 2518.1529 kcal/mol (2511.3789 without restraints) Performing minimization step: 4299. Total energy = 2517.6518 kcal/mol (2510.8789 without restraints) Performing minimization step: 4300. Total energy = 2517.1512 kcal/mol (2510.3796 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4301. Total energy = 2516.6508 kcal/mol (2509.8805 without restraints) Performing minimization step: 4302. Total energy = 2516.1508 kcal/mol (2509.3818 without restraints) Performing minimization step: 4303. Total energy = 2515.6510 kcal/mol (2508.8831 without restraints) Performing minimization step: 4304. Total energy = 2515.1517 kcal/mol (2508.3850 without restraints) Performing minimization step: 4305. Total energy = 2514.6527 kcal/mol (2507.8873 without restraints) Performing minimization step: 4306. Total energy = 2514.1538 kcal/mol (2507.3897 without restraints) Performing minimization step: 4307. Total energy = 2513.6554 kcal/mol (2506.8924 without restraints) Performing minimization step: 4308. Total energy = 2513.1581 kcal/mol (2506.3964 without restraints) Performing minimization step: 4309. Total energy = 2512.6601 kcal/mol (2505.8996 without restraints) Performing minimization step: 4310. Total energy = 2512.1625 kcal/mol (2505.4033 without restraints) Performing minimization step: 4311. Total energy = 2511.6649 kcal/mol (2504.9069 without restraints) Performing minimization step: 4312. Total energy = 2511.1676 kcal/mol (2504.4108 without restraints) Performing minimization step: 4313. Total energy = 2510.6710 kcal/mol (2503.9155 without restraints) Performing minimization step: 4314. Total energy = 2510.1748 kcal/mol (2503.4205 without restraints) Performing minimization step: 4315. Total energy = 2509.6788 kcal/mol (2502.9257 without restraints) Performing minimization step: 4316. Total energy = 2509.1830 kcal/mol (2502.4313 without restraints) Performing minimization step: 4317. Total energy = 2508.6876 kcal/mol (2501.9369 without restraints) Performing minimization step: 4318. Total energy = 2508.1926 kcal/mol (2501.4432 without restraints) Performing minimization step: 4319. Total energy = 2507.6981 kcal/mol (2500.9498 without restraints) Performing minimization step: 4320. Total energy = 2507.2033 kcal/mol (2500.4563 without restraints) Performing minimization step: 4321. Total energy = 2506.7090 kcal/mol (2499.9632 without restraints) Performing minimization step: 4322. Total energy = 2506.2152 kcal/mol (2499.4706 without restraints) Performing minimization step: 4323. Total energy = 2505.7216 kcal/mol (2498.9783 without restraints) Performing minimization step: 4324. Total energy = 2505.2282 kcal/mol (2498.4861 without restraints) Performing minimization step: 4325. Total energy = 2504.7353 kcal/mol (2497.9945 without restraints) Performing minimization step: 4326. Total energy = 2504.2426 kcal/mol (2497.5029 without restraints) Performing minimization step: 4327. Total energy = 2503.7497 kcal/mol (2497.0113 without restraints) Performing minimization step: 4328. Total energy = 2503.2581 kcal/mol (2496.5209 without restraints) Performing minimization step: 4329. Total energy = 2502.7665 kcal/mol (2496.0308 without restraints) Performing minimization step: 4330. Total energy = 2502.2753 kcal/mol (2495.5407 without restraints) Performing minimization step: 4331. Total energy = 2501.7842 kcal/mol (2495.0507 without restraints) Performing minimization step: 4332. Total energy = 2501.2934 kcal/mol (2494.5610 without restraints) Performing minimization step: 4333. Total energy = 2500.8026 kcal/mol (2494.0715 without restraints) Performing minimization step: 4334. Total energy = 2500.3124 kcal/mol (2493.5825 without restraints) Performing minimization step: 4335. Total energy = 2499.8224 kcal/mol (2493.0937 without restraints) Performing minimization step: 4336. Total energy = 2499.3331 kcal/mol (2492.6058 without restraints) Performing minimization step: 4337. Total energy = 2498.8443 kcal/mol (2492.1181 without restraints) Performing minimization step: 4338. Total energy = 2498.3557 kcal/mol (2491.6306 without restraints) Performing minimization step: 4339. Total energy = 2497.8671 kcal/mol (2491.1432 without restraints) Performing minimization step: 4340. Total energy = 2497.3785 kcal/mol (2490.6559 without restraints) Performing minimization step: 4341. Total energy = 2496.8903 kcal/mol (2490.1688 without restraints) Performing minimization step: 4342. Total energy = 2496.4024 kcal/mol (2489.6822 without restraints) Performing minimization step: 4343. Total energy = 2495.9149 kcal/mol (2489.1959 without restraints) Performing minimization step: 4344. Total energy = 2495.4276 kcal/mol (2488.7098 without restraints) Performing minimization step: 4345. Total energy = 2494.9405 kcal/mol (2488.2239 without restraints) Performing minimization step: 4346. Total energy = 2494.4538 kcal/mol (2487.7384 without restraints) Performing minimization step: 4347. Total energy = 2493.9679 kcal/mol (2487.2538 without restraints) Performing minimization step: 4348. Total energy = 2493.4819 kcal/mol (2486.7689 without restraints) Performing minimization step: 4349. Total energy = 2492.9958 kcal/mol (2486.2840 without restraints) Performing minimization step: 4350. Total energy = 2492.5103 kcal/mol (2485.7997 without restraints) Performing minimization step: 4351. Total energy = 2492.0256 kcal/mol (2485.3163 without restraints) Performing minimization step: 4352. Total energy = 2491.5413 kcal/mol (2484.8331 without restraints) Performing minimization step: 4353. Total energy = 2491.0567 kcal/mol (2484.3497 without restraints) Performing minimization step: 4354. Total energy = 2490.5726 kcal/mol (2483.8669 without restraints) Performing minimization step: 4355. Total energy = 2490.0887 kcal/mol (2483.3841 without restraints) Performing minimization step: 4356. Total energy = 2489.6051 kcal/mol (2482.9017 without restraints) Performing minimization step: 4357. Total energy = 2489.1221 kcal/mol (2482.4199 without restraints) Performing minimization step: 4358. Total energy = 2488.6391 kcal/mol (2481.9381 without restraints) Performing minimization step: 4359. Total energy = 2488.1565 kcal/mol (2481.4567 without restraints) Performing minimization step: 4360. Total energy = 2487.6740 kcal/mol (2480.9754 without restraints) Performing minimization step: 4361. Total energy = 2487.1919 kcal/mol (2480.4945 without restraints) Performing minimization step: 4362. Total energy = 2486.7112 kcal/mol (2480.0153 without restraints) Performing minimization step: 4363. Total energy = 2486.2298 kcal/mol (2479.5347 without restraints) Performing minimization step: 4364. Total energy = 2485.7485 kcal/mol (2479.0546 without restraints) Performing minimization step: 4365. Total energy = 2485.2676 kcal/mol (2478.5750 without restraints) Performing minimization step: 4366. Total energy = 2484.7870 kcal/mol (2478.0955 without restraints) Performing minimization step: 4367. Total energy = 2484.3067 kcal/mol (2477.6166 without restraints) Performing minimization step: 4368. Total energy = 2483.8268 kcal/mol (2477.1377 without restraints) Performing minimization step: 4369. Total energy = 2483.3469 kcal/mol (2476.6590 without restraints) Performing minimization step: 4370. Total energy = 2482.8676 kcal/mol (2476.1809 without restraints) Performing minimization step: 4371. Total energy = 2482.3890 kcal/mol (2475.7035 without restraints) Performing minimization step: 4372. Total energy = 2481.9100 kcal/mol (2475.2257 without restraints) Performing minimization step: 4373. Total energy = 2481.4316 kcal/mol (2474.7485 without restraints) Performing minimization step: 4374. Total energy = 2480.9532 kcal/mol (2474.2712 without restraints) Performing minimization step: 4375. Total energy = 2480.4751 kcal/mol (2473.7943 without restraints) Performing minimization step: 4376. Total energy = 2479.9973 kcal/mol (2473.3177 without restraints) Performing minimization step: 4377. Total energy = 2479.5204 kcal/mol (2472.8420 without restraints) Performing minimization step: 4378. Total energy = 2479.0429 kcal/mol (2472.3656 without restraints) Performing minimization step: 4379. Total energy = 2478.5662 kcal/mol (2471.8901 without restraints) Performing minimization step: 4380. Total energy = 2478.0896 kcal/mol (2471.4147 without restraints) Performing minimization step: 4381. Total energy = 2477.6133 kcal/mol (2470.9396 without restraints) Performing minimization step: 4382. Total energy = 2477.1373 kcal/mol (2470.4648 without restraints) Performing minimization step: 4383. Total energy = 2476.6616 kcal/mol (2469.9902 without restraints) Performing minimization step: 4384. Total energy = 2476.1871 kcal/mol (2469.5171 without restraints) Performing minimization step: 4385. Total energy = 2475.7125 kcal/mol (2469.0435 without restraints) Performing minimization step: 4386. Total energy = 2475.2377 kcal/mol (2468.5699 without restraints) Performing minimization step: 4387. Total energy = 2474.7638 kcal/mol (2468.0971 without restraints) Performing minimization step: 4388. Total energy = 2474.2897 kcal/mol (2467.6242 without restraints) Performing minimization step: 4389. Total energy = 2473.8158 kcal/mol (2467.1515 without restraints) Performing minimization step: 4390. Total energy = 2473.3423 kcal/mol (2466.6792 without restraints) Performing minimization step: 4391. Total energy = 2472.8694 kcal/mol (2466.2075 without restraints) Performing minimization step: 4392. Total energy = 2472.3965 kcal/mol (2465.7356 without restraints) Performing minimization step: 4393. Total energy = 2471.9235 kcal/mol (2465.2640 without restraints) Performing minimization step: 4394. Total energy = 2471.4514 kcal/mol (2464.7931 without restraints) Performing minimization step: 4395. Total energy = 2470.9791 kcal/mol (2464.3218 without restraints) Performing minimization step: 4396. Total energy = 2470.5073 kcal/mol (2463.8512 without restraints) Performing minimization step: 4397. Total energy = 2470.0357 kcal/mol (2463.3808 without restraints) Performing minimization step: 4398. Total energy = 2469.5643 kcal/mol (2462.9105 without restraints) Performing minimization step: 4399. Total energy = 2469.0934 kcal/mol (2462.4408 without restraints) Performing minimization step: 4400. Total energy = 2468.6228 kcal/mol (2461.9714 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4401. Total energy = 2468.1523 kcal/mol (2461.5020 without restraints) Performing minimization step: 4402. Total energy = 2467.6821 kcal/mol (2461.0329 without restraints) Performing minimization step: 4403. Total energy = 2467.2121 kcal/mol (2460.5641 without restraints) Performing minimization step: 4404. Total energy = 2466.7424 kcal/mol (2460.0956 without restraints) Performing minimization step: 4405. Total energy = 2466.2728 kcal/mol (2459.6272 without restraints) Performing minimization step: 4406. Total energy = 2465.8044 kcal/mol (2459.1600 without restraints) Performing minimization step: 4407. Total energy = 2465.3356 kcal/mol (2458.6923 without restraints) Performing minimization step: 4408. Total energy = 2464.8672 kcal/mol (2458.2251 without restraints) Performing minimization step: 4409. Total energy = 2464.3993 kcal/mol (2457.7584 without restraints) Performing minimization step: 4410. Total energy = 2463.9320 kcal/mol (2457.2922 without restraints) Performing minimization step: 4411. Total energy = 2463.4646 kcal/mol (2456.8261 without restraints) Performing minimization step: 4412. Total energy = 2462.9976 kcal/mol (2456.3601 without restraints) Performing minimization step: 4413. Total energy = 2462.5309 kcal/mol (2455.8946 without restraints) Performing minimization step: 4414. Total energy = 2462.0644 kcal/mol (2455.4292 without restraints) Performing minimization step: 4415. Total energy = 2461.5980 kcal/mol (2454.9640 without restraints) Performing minimization step: 4416. Total energy = 2461.1320 kcal/mol (2454.4991 without restraints) Performing minimization step: 4417. Total energy = 2460.6664 kcal/mol (2454.0348 without restraints) Performing minimization step: 4418. Total energy = 2460.2011 kcal/mol (2453.5706 without restraints) Performing minimization step: 4419. Total energy = 2459.7360 kcal/mol (2453.1066 without restraints) Performing minimization step: 4420. Total energy = 2459.2711 kcal/mol (2452.6428 without restraints) Performing minimization step: 4421. Total energy = 2458.8063 kcal/mol (2452.1792 without restraints) Performing minimization step: 4422. Total energy = 2458.3416 kcal/mol (2451.7156 without restraints) Performing minimization step: 4423. Total energy = 2457.8773 kcal/mol (2451.2523 without restraints) Performing minimization step: 4424. Total energy = 2457.4135 kcal/mol (2450.7900 without restraints) Performing minimization step: 4425. Total energy = 2456.9501 kcal/mol (2450.3275 without restraints) Performing minimization step: 4426. Total energy = 2456.4866 kcal/mol (2449.8652 without restraints) Performing minimization step: 4427. Total energy = 2456.0235 kcal/mol (2449.4034 without restraints) Performing minimization step: 4428. Total energy = 2455.5608 kcal/mol (2448.9418 without restraints) Performing minimization step: 4429. Total energy = 2455.0980 kcal/mol (2448.4801 without restraints) Performing minimization step: 4430. Total energy = 2454.6363 kcal/mol (2448.0195 without restraints) Performing minimization step: 4431. Total energy = 2454.1749 kcal/mol (2447.5594 without restraints) Performing minimization step: 4432. Total energy = 2453.7133 kcal/mol (2447.0988 without restraints) Performing minimization step: 4433. Total energy = 2453.2518 kcal/mol (2446.6384 without restraints) Performing minimization step: 4434. Total energy = 2452.7909 kcal/mol (2446.1787 without restraints) Performing minimization step: 4435. Total energy = 2452.3303 kcal/mol (2445.7193 without restraints) Performing minimization step: 4436. Total energy = 2451.8698 kcal/mol (2445.2599 without restraints) Performing minimization step: 4437. Total energy = 2451.4096 kcal/mol (2444.8008 without restraints) Performing minimization step: 4438. Total energy = 2450.9497 kcal/mol (2444.3421 without restraints) Performing minimization step: 4439. Total energy = 2450.4903 kcal/mol (2443.8838 without restraints) Performing minimization step: 4440. Total energy = 2450.0303 kcal/mol (2443.4249 without restraints) Performing minimization step: 4441. Total energy = 2449.5704 kcal/mol (2442.9662 without restraints) Performing minimization step: 4442. Total energy = 2449.1116 kcal/mol (2442.5086 without restraints) Performing minimization step: 4443. Total energy = 2448.6526 kcal/mol (2442.0507 without restraints) Performing minimization step: 4444. Total energy = 2448.1943 kcal/mol (2441.5935 without restraints) Performing minimization step: 4445. Total energy = 2447.7361 kcal/mol (2441.1364 without restraints) Performing minimization step: 4446. Total energy = 2447.2781 kcal/mol (2440.6795 without restraints) Performing minimization step: 4447. Total energy = 2446.8204 kcal/mol (2440.2229 without restraints) Performing minimization step: 4448. Total energy = 2446.3633 kcal/mol (2439.7672 without restraints) Performing minimization step: 4449. Total energy = 2445.9063 kcal/mol (2439.3112 without restraints) Performing minimization step: 4450. Total energy = 2445.4496 kcal/mol (2438.8556 without restraints) Performing minimization step: 4451. Total energy = 2444.9928 kcal/mol (2438.3998 without restraints) Performing minimization step: 4452. Total energy = 2444.5365 kcal/mol (2437.9446 without restraints) Performing minimization step: 4453. Total energy = 2444.0803 kcal/mol (2437.4897 without restraints) Performing minimization step: 4454. Total energy = 2443.6251 kcal/mol (2437.0355 without restraints) Performing minimization step: 4455. Total energy = 2443.1695 kcal/mol (2436.5812 without restraints) Performing minimization step: 4456. Total energy = 2442.7143 kcal/mol (2436.1271 without restraints) Performing minimization step: 4457. Total energy = 2442.2593 kcal/mol (2435.6732 without restraints) Performing minimization step: 4458. Total energy = 2441.8057 kcal/mol (2435.2208 without restraints) Performing minimization step: 4459. Total energy = 2441.3517 kcal/mol (2434.7679 without restraints) Performing minimization step: 4460. Total energy = 2440.8977 kcal/mol (2434.3149 without restraints) Performing minimization step: 4461. Total energy = 2440.4444 kcal/mol (2433.8628 without restraints) Performing minimization step: 4462. Total energy = 2439.9914 kcal/mol (2433.4110 without restraints) Performing minimization step: 4463. Total energy = 2439.5381 kcal/mol (2432.9587 without restraints) Performing minimization step: 4464. Total energy = 2439.0858 kcal/mol (2432.5076 without restraints) Performing minimization step: 4465. Total energy = 2438.6331 kcal/mol (2432.0561 without restraints) Performing minimization step: 4466. Total energy = 2438.1808 kcal/mol (2431.6048 without restraints) Performing minimization step: 4467. Total energy = 2437.7284 kcal/mol (2431.1535 without restraints) Performing minimization step: 4468. Total energy = 2437.2764 kcal/mol (2430.7027 without restraints) Performing minimization step: 4469. Total energy = 2436.8254 kcal/mol (2430.2529 without restraints) Performing minimization step: 4470. Total energy = 2436.3741 kcal/mol (2429.8026 without restraints) Performing minimization step: 4471. Total energy = 2435.9233 kcal/mol (2429.3529 without restraints) Performing minimization step: 4472. Total energy = 2435.4724 kcal/mol (2428.9031 without restraints) Performing minimization step: 4473. Total energy = 2435.0220 kcal/mol (2428.4538 without restraints) Performing minimization step: 4474. Total energy = 2434.5721 kcal/mol (2428.0051 without restraints) Performing minimization step: 4475. Total energy = 2434.1224 kcal/mol (2427.5565 without restraints) Performing minimization step: 4476. Total energy = 2433.6724 kcal/mol (2427.1075 without restraints) Performing minimization step: 4477. Total energy = 2433.2228 kcal/mol (2426.6591 without restraints) Performing minimization step: 4478. Total energy = 2432.7737 kcal/mol (2426.2111 without restraints) Performing minimization step: 4479. Total energy = 2432.3247 kcal/mol (2425.7632 without restraints) Performing minimization step: 4480. Total energy = 2431.8764 kcal/mol (2425.3160 without restraints) Performing minimization step: 4481. Total energy = 2431.4281 kcal/mol (2424.8688 without restraints) Performing minimization step: 4482. Total energy = 2430.9799 kcal/mol (2424.4218 without restraints) Performing minimization step: 4483. Total energy = 2430.5321 kcal/mol (2423.9752 without restraints) Performing minimization step: 4484. Total energy = 2430.0854 kcal/mol (2423.5295 without restraints) Performing minimization step: 4485. Total energy = 2429.6380 kcal/mol (2423.0831 without restraints) Performing minimization step: 4486. Total energy = 2429.1910 kcal/mol (2422.6373 without restraints) Performing minimization step: 4487. Total energy = 2428.7452 kcal/mol (2422.1927 without restraints) Performing minimization step: 4488. Total energy = 2428.2986 kcal/mol (2421.7471 without restraints) Performing minimization step: 4489. Total energy = 2427.8523 kcal/mol (2421.3019 without restraints) Performing minimization step: 4490. Total energy = 2427.4063 kcal/mol (2420.8571 without restraints) Performing minimization step: 4491. Total energy = 2426.9603 kcal/mol (2420.4121 without restraints) Performing minimization step: 4492. Total energy = 2426.5149 kcal/mol (2419.9678 without restraints) Performing minimization step: 4493. Total energy = 2426.0698 kcal/mol (2419.5238 without restraints) Performing minimization step: 4494. Total energy = 2425.6244 kcal/mol (2419.0793 without restraints) Performing minimization step: 4495. Total energy = 2425.1802 kcal/mol (2418.6364 without restraints) Performing minimization step: 4496. Total energy = 2424.7360 kcal/mol (2418.1934 without restraints) Performing minimization step: 4497. Total energy = 2424.2923 kcal/mol (2417.7507 without restraints) Performing minimization step: 4498. Total energy = 2423.8483 kcal/mol (2417.3078 without restraints) Performing minimization step: 4499. Total energy = 2423.4056 kcal/mol (2416.8664 without restraints) Performing minimization step: 4500. Total energy = 2422.9625 kcal/mol (2416.4242 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4501. Total energy = 2422.5194 kcal/mol (2415.9823 without restraints) Performing minimization step: 4502. Total energy = 2422.0769 kcal/mol (2415.5408 without restraints) Performing minimization step: 4503. Total energy = 2421.6342 kcal/mol (2415.0993 without restraints) Performing minimization step: 4504. Total energy = 2421.1918 kcal/mol (2414.6579 without restraints) Performing minimization step: 4505. Total energy = 2420.7503 kcal/mol (2414.2176 without restraints) Performing minimization step: 4506. Total energy = 2420.3084 kcal/mol (2413.7768 without restraints) Performing minimization step: 4507. Total energy = 2419.8667 kcal/mol (2413.3362 without restraints) Performing minimization step: 4508. Total energy = 2419.4259 kcal/mol (2412.8965 without restraints) Performing minimization step: 4509. Total energy = 2418.9848 kcal/mol (2412.4564 without restraints) Performing minimization step: 4510. Total energy = 2418.5439 kcal/mol (2412.0167 without restraints) Performing minimization step: 4511. Total energy = 2418.1033 kcal/mol (2411.5770 without restraints) Performing minimization step: 4512. Total energy = 2417.6634 kcal/mol (2411.1383 without restraints) Performing minimization step: 4513. Total energy = 2417.2235 kcal/mol (2410.6995 without restraints) Performing minimization step: 4514. Total energy = 2416.7837 kcal/mol (2410.2608 without restraints) Performing minimization step: 4515. Total energy = 2416.3441 kcal/mol (2409.8224 without restraints) Performing minimization step: 4516. Total energy = 2415.9049 kcal/mol (2409.3841 without restraints) Performing minimization step: 4517. Total energy = 2415.4661 kcal/mol (2408.9464 without restraints) Performing minimization step: 4518. Total energy = 2415.0273 kcal/mol (2408.5088 without restraints) Performing minimization step: 4519. Total energy = 2414.5894 kcal/mol (2408.0721 without restraints) Performing minimization step: 4520. Total energy = 2414.1512 kcal/mol (2407.6348 without restraints) Performing minimization step: 4521. Total energy = 2413.7131 kcal/mol (2407.1978 without restraints) Performing minimization step: 4522. Total energy = 2413.2756 kcal/mol (2406.7614 without restraints) Performing minimization step: 4523. Total energy = 2412.8383 kcal/mol (2406.3252 without restraints) Performing minimization step: 4524. Total energy = 2412.4010 kcal/mol (2405.8890 without restraints) Performing minimization step: 4525. Total energy = 2411.9639 kcal/mol (2405.4529 without restraints) Performing minimization step: 4526. Total energy = 2411.5272 kcal/mol (2405.0174 without restraints) Performing minimization step: 4527. Total energy = 2411.0909 kcal/mol (2404.5821 without restraints) Performing minimization step: 4528. Total energy = 2410.6545 kcal/mol (2404.1469 without restraints) Performing minimization step: 4529. Total energy = 2410.2188 kcal/mol (2403.7122 without restraints) Performing minimization step: 4530. Total energy = 2409.7832 kcal/mol (2403.2778 without restraints) Performing minimization step: 4531. Total energy = 2409.3479 kcal/mol (2402.8433 without restraints) Performing minimization step: 4532. Total energy = 2408.9125 kcal/mol (2402.4091 without restraints) Performing minimization step: 4533. Total energy = 2408.4779 kcal/mol (2401.9757 without restraints) Performing minimization step: 4534. Total energy = 2408.0431 kcal/mol (2401.5419 without restraints) Performing minimization step: 4535. Total energy = 2407.6087 kcal/mol (2401.1085 without restraints) Performing minimization step: 4536. Total energy = 2407.1751 kcal/mol (2400.6761 without restraints) Performing minimization step: 4537. Total energy = 2406.7412 kcal/mol (2400.2432 without restraints) Performing minimization step: 4538. Total energy = 2406.3075 kcal/mol (2399.8106 without restraints) Performing minimization step: 4539. Total energy = 2405.8740 kcal/mol (2399.3782 without restraints) Performing minimization step: 4540. Total energy = 2405.4412 kcal/mol (2398.9468 without restraints) Performing minimization step: 4541. Total energy = 2405.0086 kcal/mol (2398.5149 without restraints) Performing minimization step: 4542. Total energy = 2404.5762 kcal/mol (2398.0838 without restraints) Performing minimization step: 4543. Total energy = 2404.1442 kcal/mol (2397.6526 without restraints) Performing minimization step: 4544. Total energy = 2403.7117 kcal/mol (2397.2213 without restraints) Performing minimization step: 4545. Total energy = 2403.2800 kcal/mol (2396.7907 without restraints) Performing minimization step: 4546. Total energy = 2402.8485 kcal/mol (2396.3603 without restraints) Performing minimization step: 4547. Total energy = 2402.4174 kcal/mol (2395.9302 without restraints) Performing minimization step: 4548. Total energy = 2401.9866 kcal/mol (2395.5006 without restraints) Performing minimization step: 4549. Total energy = 2401.5560 kcal/mol (2395.0710 without restraints) Performing minimization step: 4550. Total energy = 2401.1253 kcal/mol (2394.6413 without restraints) Performing minimization step: 4551. Total energy = 2400.6949 kcal/mol (2394.2119 without restraints) Performing minimization step: 4552. Total energy = 2400.2645 kcal/mol (2393.7826 without restraints) Performing minimization step: 4553. Total energy = 2399.8345 kcal/mol (2393.3537 without restraints) Performing minimization step: 4554. Total energy = 2399.4048 kcal/mol (2392.9251 without restraints) Performing minimization step: 4555. Total energy = 2398.9756 kcal/mol (2392.4969 without restraints) Performing minimization step: 4556. Total energy = 2398.5464 kcal/mol (2392.0688 without restraints) Performing minimization step: 4557. Total energy = 2398.1173 kcal/mol (2391.6408 without restraints) Performing minimization step: 4558. Total energy = 2397.6886 kcal/mol (2391.2131 without restraints) Performing minimization step: 4559. Total energy = 2397.2605 kcal/mol (2390.7861 without restraints) Performing minimization step: 4560. Total energy = 2396.8328 kcal/mol (2390.3595 without restraints) Performing minimization step: 4561. Total energy = 2396.4051 kcal/mol (2389.9332 without restraints) Performing minimization step: 4562. Total energy = 2395.9778 kcal/mol (2389.5068 without restraints) Performing minimization step: 4563. Total energy = 2395.5505 kcal/mol (2389.0803 without restraints) Performing minimization step: 4564. Total energy = 2395.1232 kcal/mol (2388.6541 without restraints) Performing minimization step: 4565. Total energy = 2394.6962 kcal/mol (2388.2282 without restraints) Performing minimization step: 4566. Total energy = 2394.2696 kcal/mol (2387.8027 without restraints) Performing minimization step: 4567. Total energy = 2393.8433 kcal/mol (2387.3774 without restraints) Performing minimization step: 4568. Total energy = 2393.4171 kcal/mol (2386.9522 without restraints) Performing minimization step: 4569. Total energy = 2392.9916 kcal/mol (2386.5279 without restraints) Performing minimization step: 4570. Total energy = 2392.5660 kcal/mol (2386.1035 without restraints) Performing minimization step: 4571. Total energy = 2392.1404 kcal/mol (2385.6788 without restraints) Performing minimization step: 4572. Total energy = 2391.7151 kcal/mol (2385.2546 without restraints) Performing minimization step: 4573. Total energy = 2391.2902 kcal/mol (2384.8308 without restraints) Performing minimization step: 4574. Total energy = 2390.8659 kcal/mol (2384.4074 without restraints) Performing minimization step: 4575. Total energy = 2390.4413 kcal/mol (2383.9838 without restraints) Performing minimization step: 4576. Total energy = 2390.0171 kcal/mol (2383.5608 without restraints) Performing minimization step: 4577. Total energy = 2389.5932 kcal/mol (2383.1379 without restraints) Performing minimization step: 4578. Total energy = 2389.1698 kcal/mol (2382.7156 without restraints) Performing minimization step: 4579. Total energy = 2388.7462 kcal/mol (2382.2930 without restraints) Performing minimization step: 4580. Total energy = 2388.3226 kcal/mol (2381.8706 without restraints) Performing minimization step: 4581. Total energy = 2387.8994 kcal/mol (2381.4482 without restraints) Performing minimization step: 4582. Total energy = 2387.4765 kcal/mol (2381.0264 without restraints) Performing minimization step: 4583. Total energy = 2387.0539 kcal/mol (2380.6050 without restraints) Performing minimization step: 4584. Total energy = 2386.6316 kcal/mol (2380.1837 without restraints) Performing minimization step: 4585. Total energy = 2386.2097 kcal/mol (2379.7628 without restraints) Performing minimization step: 4586. Total energy = 2385.7880 kcal/mol (2379.3422 without restraints) Performing minimization step: 4587. Total energy = 2385.3666 kcal/mol (2378.9219 without restraints) Performing minimization step: 4588. Total energy = 2384.9453 kcal/mol (2378.5016 without restraints) Performing minimization step: 4589. Total energy = 2384.5244 kcal/mol (2378.0818 without restraints) Performing minimization step: 4590. Total energy = 2384.1037 kcal/mol (2377.6621 without restraints) Performing minimization step: 4591. Total energy = 2383.6834 kcal/mol (2377.2430 without restraints) Performing minimization step: 4592. Total energy = 2383.2634 kcal/mol (2376.8239 without restraints) Performing minimization step: 4593. Total energy = 2382.8431 kcal/mol (2376.4047 without restraints) Performing minimization step: 4594. Total energy = 2382.4233 kcal/mol (2375.9859 without restraints) Performing minimization step: 4595. Total energy = 2382.0038 kcal/mol (2375.5675 without restraints) Performing minimization step: 4596. Total energy = 2381.5849 kcal/mol (2375.1496 without restraints) Performing minimization step: 4597. Total energy = 2381.1657 kcal/mol (2374.7314 without restraints) Performing minimization step: 4598. Total energy = 2380.7470 kcal/mol (2374.3138 without restraints) Performing minimization step: 4599. Total energy = 2380.3282 kcal/mol (2373.8959 without restraints) Performing minimization step: 4600. Total energy = 2379.9100 kcal/mol (2373.4789 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4601. Total energy = 2379.4916 kcal/mol (2373.0614 without restraints) Performing minimization step: 4602. Total energy = 2379.0739 kcal/mol (2372.6449 without restraints) Performing minimization step: 4603. Total energy = 2378.6562 kcal/mol (2372.2282 without restraints) Performing minimization step: 4604. Total energy = 2378.2388 kcal/mol (2371.8118 without restraints) Performing minimization step: 4605. Total energy = 2377.8215 kcal/mol (2371.3956 without restraints) Performing minimization step: 4606. Total energy = 2377.4049 kcal/mol (2370.9801 without restraints) Performing minimization step: 4607. Total energy = 2376.9881 kcal/mol (2370.5642 without restraints) Performing minimization step: 4608. Total energy = 2376.5718 kcal/mol (2370.1491 without restraints) Performing minimization step: 4609. Total energy = 2376.1557 kcal/mol (2369.7339 without restraints) Performing minimization step: 4610. Total energy = 2375.7398 kcal/mol (2369.3192 without restraints) Performing minimization step: 4611. Total energy = 2375.3242 kcal/mol (2368.9044 without restraints) Performing minimization step: 4612. Total energy = 2374.9085 kcal/mol (2368.4898 without restraints) Performing minimization step: 4613. Total energy = 2374.4938 kcal/mol (2368.0762 without restraints) Performing minimization step: 4614. Total energy = 2374.0792 kcal/mol (2367.6626 without restraints) Performing minimization step: 4615. Total energy = 2373.6646 kcal/mol (2367.2492 without restraints) Performing minimization step: 4616. Total energy = 2373.2506 kcal/mol (2366.8362 without restraints) Performing minimization step: 4617. Total energy = 2372.8364 kcal/mol (2366.4229 without restraints) Performing minimization step: 4618. Total energy = 2372.4230 kcal/mol (2366.0107 without restraints) Performing minimization step: 4619. Total energy = 2372.0096 kcal/mol (2365.5986 without restraints) Performing minimization step: 4620. Total energy = 2371.5962 kcal/mol (2365.1859 without restraints) Performing minimization step: 4621. Total energy = 2371.1828 kcal/mol (2364.7736 without restraints) Performing minimization step: 4622. Total energy = 2370.7697 kcal/mol (2364.3614 without restraints) Performing minimization step: 4623. Total energy = 2370.3570 kcal/mol (2363.9498 without restraints) Performing minimization step: 4624. Total energy = 2369.9445 kcal/mol (2363.5383 without restraints) Performing minimization step: 4625. Total energy = 2369.5322 kcal/mol (2363.1270 without restraints) Performing minimization step: 4626. Total energy = 2369.1203 kcal/mol (2362.7162 without restraints) Performing minimization step: 4627. Total energy = 2368.7085 kcal/mol (2362.3054 without restraints) Performing minimization step: 4628. Total energy = 2368.2971 kcal/mol (2361.8951 without restraints) Performing minimization step: 4629. Total energy = 2367.8862 kcal/mol (2361.4852 without restraints) Performing minimization step: 4630. Total energy = 2367.4752 kcal/mol (2361.0754 without restraints) Performing minimization step: 4631. Total energy = 2367.0640 kcal/mol (2360.6651 without restraints) Performing minimization step: 4632. Total energy = 2366.6532 kcal/mol (2360.2552 without restraints) Performing minimization step: 4633. Total energy = 2366.2431 kcal/mol (2359.8462 without restraints) Performing minimization step: 4634. Total energy = 2365.8329 kcal/mol (2359.4370 without restraints) Performing minimization step: 4635. Total energy = 2365.4225 kcal/mol (2359.0276 without restraints) Performing minimization step: 4636. Total energy = 2365.0129 kcal/mol (2358.6191 without restraints) Performing minimization step: 4637. Total energy = 2364.6033 kcal/mol (2358.2104 without restraints) Performing minimization step: 4638. Total energy = 2364.1939 kcal/mol (2357.8021 without restraints) Performing minimization step: 4639. Total energy = 2363.7847 kcal/mol (2357.3939 without restraints) Performing minimization step: 4640. Total energy = 2363.3754 kcal/mol (2356.9856 without restraints) Performing minimization step: 4641. Total energy = 2362.9666 kcal/mol (2356.5779 without restraints) Performing minimization step: 4642. Total energy = 2362.5582 kcal/mol (2356.1705 without restraints) Performing minimization step: 4643. Total energy = 2362.1504 kcal/mol (2355.7637 without restraints) Performing minimization step: 4644. Total energy = 2361.7429 kcal/mol (2355.3572 without restraints) Performing minimization step: 4645. Total energy = 2361.3348 kcal/mol (2354.9502 without restraints) Performing minimization step: 4646. Total energy = 2360.9272 kcal/mol (2354.5436 without restraints) Performing minimization step: 4647. Total energy = 2360.5198 kcal/mol (2354.1372 without restraints) Performing minimization step: 4648. Total energy = 2360.1125 kcal/mol (2353.7309 without restraints) Performing minimization step: 4649. Total energy = 2359.7056 kcal/mol (2353.3250 without restraints) Performing minimization step: 4650. Total energy = 2359.2994 kcal/mol (2352.9199 without restraints) Performing minimization step: 4651. Total energy = 2358.8930 kcal/mol (2352.5145 without restraints) Performing minimization step: 4652. Total energy = 2358.4866 kcal/mol (2352.1091 without restraints) Performing minimization step: 4653. Total energy = 2358.0810 kcal/mol (2351.7045 without restraints) Performing minimization step: 4654. Total energy = 2357.6754 kcal/mol (2351.3000 without restraints) Performing minimization step: 4655. Total energy = 2357.2700 kcal/mol (2350.8956 without restraints) Performing minimization step: 4656. Total energy = 2356.8647 kcal/mol (2350.4913 without restraints) Performing minimization step: 4657. Total energy = 2356.4596 kcal/mol (2350.0872 without restraints) Performing minimization step: 4658. Total energy = 2356.0550 kcal/mol (2349.6836 without restraints) Performing minimization step: 4659. Total energy = 2355.6507 kcal/mol (2349.2804 without restraints) Performing minimization step: 4660. Total energy = 2355.2465 kcal/mol (2348.8772 without restraints) Performing minimization step: 4661. Total energy = 2354.8421 kcal/mol (2348.4738 without restraints) Performing minimization step: 4662. Total energy = 2354.4383 kcal/mol (2348.0711 without restraints) Performing minimization step: 4663. Total energy = 2354.0350 kcal/mol (2347.6688 without restraints) Performing minimization step: 4664. Total energy = 2353.6316 kcal/mol (2347.2664 without restraints) Performing minimization step: 4665. Total energy = 2353.2297 kcal/mol (2346.8654 without restraints) Performing minimization step: 4666. Total energy = 2352.8265 kcal/mol (2346.4632 without restraints) Performing minimization step: 4667. Total energy = 2352.4237 kcal/mol (2346.0613 without restraints) Performing minimization step: 4668. Total energy = 2352.0214 kcal/mol (2345.6602 without restraints) Performing minimization step: 4669. Total energy = 2351.6190 kcal/mol (2345.2588 without restraints) Performing minimization step: 4670. Total energy = 2351.2169 kcal/mol (2344.8577 without restraints) Performing minimization step: 4671. Total energy = 2350.8152 kcal/mol (2344.4569 without restraints) Performing minimization step: 4672. Total energy = 2350.4142 kcal/mol (2344.0570 without restraints) Performing minimization step: 4673. Total energy = 2350.0130 kcal/mol (2343.6569 without restraints) Performing minimization step: 4674. Total energy = 2349.6121 kcal/mol (2343.2569 without restraints) Performing minimization step: 4675. Total energy = 2349.2107 kcal/mol (2342.8565 without restraints) Performing minimization step: 4676. Total energy = 2348.8105 kcal/mol (2342.4575 without restraints) Performing minimization step: 4677. Total energy = 2348.4105 kcal/mol (2342.0583 without restraints) Performing minimization step: 4678. Total energy = 2348.0106 kcal/mol (2341.6594 without restraints) Performing minimization step: 4679. Total energy = 2347.6106 kcal/mol (2341.2604 without restraints) Performing minimization step: 4680. Total energy = 2347.2108 kcal/mol (2340.8617 without restraints) Performing minimization step: 4681. Total energy = 2346.8117 kcal/mol (2340.4637 without restraints) Performing minimization step: 4682. Total energy = 2346.4124 kcal/mol (2340.0654 without restraints) Performing minimization step: 4683. Total energy = 2346.0133 kcal/mol (2339.6672 without restraints) Performing minimization step: 4684. Total energy = 2345.6146 kcal/mol (2339.2695 without restraints) Performing minimization step: 4685. Total energy = 2345.2162 kcal/mol (2338.8722 without restraints) Performing minimization step: 4686. Total energy = 2344.8179 kcal/mol (2338.4748 without restraints) Performing minimization step: 4687. Total energy = 2344.4194 kcal/mol (2338.0773 without restraints) Performing minimization step: 4688. Total energy = 2344.0210 kcal/mol (2337.6798 without restraints) Performing minimization step: 4689. Total energy = 2343.6230 kcal/mol (2337.2828 without restraints) Performing minimization step: 4690. Total energy = 2343.2260 kcal/mol (2336.8872 without restraints) Performing minimization step: 4691. Total energy = 2342.8293 kcal/mol (2336.4912 without restraints) Performing minimization step: 4692. Total energy = 2342.4320 kcal/mol (2336.0947 without restraints) Performing minimization step: 4693. Total energy = 2342.0347 kcal/mol (2335.6986 without restraints) Performing minimization step: 4694. Total energy = 2341.6383 kcal/mol (2335.3033 without restraints) Performing minimization step: 4695. Total energy = 2341.2421 kcal/mol (2334.9080 without restraints) Performing minimization step: 4696. Total energy = 2340.8460 kcal/mol (2334.5130 without restraints) Performing minimization step: 4697. Total energy = 2340.4498 kcal/mol (2334.1178 without restraints) Performing minimization step: 4698. Total energy = 2340.0540 kcal/mol (2333.7229 without restraints) Performing minimization step: 4699. Total energy = 2339.6584 kcal/mol (2333.3284 without restraints) Performing minimization step: 4700. Total energy = 2339.2631 kcal/mol (2332.9340 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4701. Total energy = 2338.8679 kcal/mol (2332.5399 without restraints) Performing minimization step: 4702. Total energy = 2338.4733 kcal/mol (2332.1462 without restraints) Performing minimization step: 4703. Total energy = 2338.0787 kcal/mol (2331.7525 without restraints) Performing minimization step: 4704. Total energy = 2337.6844 kcal/mol (2331.3593 without restraints) Performing minimization step: 4705. Total energy = 2337.2906 kcal/mol (2330.9665 without restraints) Performing minimization step: 4706. Total energy = 2336.8965 kcal/mol (2330.5734 without restraints) Performing minimization step: 4707. Total energy = 2336.5025 kcal/mol (2330.1804 without restraints) Performing minimization step: 4708. Total energy = 2336.1087 kcal/mol (2329.7876 without restraints) Performing minimization step: 4709. Total energy = 2335.7158 kcal/mol (2329.3959 without restraints) Performing minimization step: 4710. Total energy = 2335.3231 kcal/mol (2329.0041 without restraints) Performing minimization step: 4711. Total energy = 2334.9303 kcal/mol (2328.6122 without restraints) Performing minimization step: 4712. Total energy = 2334.5378 kcal/mol (2328.2207 without restraints) Performing minimization step: 4713. Total energy = 2334.1457 kcal/mol (2327.8296 without restraints) Performing minimization step: 4714. Total energy = 2333.7537 kcal/mol (2327.4386 without restraints) Performing minimization step: 4715. Total energy = 2333.3620 kcal/mol (2327.0479 without restraints) Performing minimization step: 4716. Total energy = 2332.9706 kcal/mol (2326.6574 without restraints) Performing minimization step: 4717. Total energy = 2332.5792 kcal/mol (2326.2671 without restraints) Performing minimization step: 4718. Total energy = 2332.1884 kcal/mol (2325.8777 without restraints) Performing minimization step: 4719. Total energy = 2331.7983 kcal/mol (2325.4882 without restraints) Performing minimization step: 4720. Total energy = 2331.4076 kcal/mol (2325.0985 without restraints) Performing minimization step: 4721. Total energy = 2331.0167 kcal/mol (2324.7086 without restraints) Performing minimization step: 4722. Total energy = 2330.6266 kcal/mol (2324.3196 without restraints) Performing minimization step: 4723. Total energy = 2330.2366 kcal/mol (2323.9303 without restraints) Performing minimization step: 4724. Total energy = 2329.8464 kcal/mol (2323.5412 without restraints) Performing minimization step: 4725. Total energy = 2329.4568 kcal/mol (2323.1526 without restraints) Performing minimization step: 4726. Total energy = 2329.0678 kcal/mol (2322.7646 without restraints) Performing minimization step: 4727. Total energy = 2328.6784 kcal/mol (2322.3762 without restraints) Performing minimization step: 4728. Total energy = 2328.2893 kcal/mol (2321.9882 without restraints) Performing minimization step: 4729. Total energy = 2327.9006 kcal/mol (2321.6003 without restraints) Performing minimization step: 4730. Total energy = 2327.5119 kcal/mol (2321.2126 without restraints) Performing minimization step: 4731. Total energy = 2327.1241 kcal/mol (2320.8258 without restraints) Performing minimization step: 4732. Total energy = 2326.7359 kcal/mol (2320.4386 without restraints) Performing minimization step: 4733. Total energy = 2326.3482 kcal/mol (2320.0521 without restraints) Performing minimization step: 4734. Total energy = 2325.9608 kcal/mol (2319.6656 without restraints) Performing minimization step: 4735. Total energy = 2325.5733 kcal/mol (2319.2789 without restraints) Performing minimization step: 4736. Total energy = 2325.1858 kcal/mol (2318.8924 without restraints) Performing minimization step: 4737. Total energy = 2324.7986 kcal/mol (2318.5062 without restraints) Performing minimization step: 4738. Total energy = 2324.4116 kcal/mol (2318.1202 without restraints) Performing minimization step: 4739. Total energy = 2324.0249 kcal/mol (2317.7346 without restraints) Performing minimization step: 4740. Total energy = 2323.6384 kcal/mol (2317.3490 without restraints) Performing minimization step: 4741. Total energy = 2323.2521 kcal/mol (2316.9637 without restraints) Performing minimization step: 4742. Total energy = 2322.8660 kcal/mol (2316.5785 without restraints) Performing minimization step: 4743. Total energy = 2322.4804 kcal/mol (2316.1940 without restraints) Performing minimization step: 4744. Total energy = 2322.0950 kcal/mol (2315.8096 without restraints) Performing minimization step: 4745. Total energy = 2321.7094 kcal/mol (2315.4249 without restraints) Performing minimization step: 4746. Total energy = 2321.3245 kcal/mol (2315.0409 without restraints) Performing minimization step: 4747. Total energy = 2320.9393 kcal/mol (2314.6568 without restraints) Performing minimization step: 4748. Total energy = 2320.5547 kcal/mol (2314.2732 without restraints) Performing minimization step: 4749. Total energy = 2320.1701 kcal/mol (2313.8895 without restraints) Performing minimization step: 4750. Total energy = 2319.7859 kcal/mol (2313.5063 without restraints) Performing minimization step: 4751. Total energy = 2319.4021 kcal/mol (2313.1235 without restraints) Performing minimization step: 4752. Total energy = 2319.0182 kcal/mol (2312.7405 without restraints) Performing minimization step: 4753. Total energy = 2318.6344 kcal/mol (2312.3577 without restraints) Performing minimization step: 4754. Total energy = 2318.2514 kcal/mol (2311.9757 without restraints) Performing minimization step: 4755. Total energy = 2317.8683 kcal/mol (2311.5937 without restraints) Performing minimization step: 4756. Total energy = 2317.4858 kcal/mol (2311.2121 without restraints) Performing minimization step: 4757. Total energy = 2317.1033 kcal/mol (2310.8308 without restraints) Performing minimization step: 4758. Total energy = 2316.7203 kcal/mol (2310.4485 without restraints) Performing minimization step: 4759. Total energy = 2316.3377 kcal/mol (2310.0669 without restraints) Performing minimization step: 4760. Total energy = 2315.9556 kcal/mol (2309.6859 without restraints) Performing minimization step: 4761. Total energy = 2315.5736 kcal/mol (2309.3048 without restraints) Performing minimization step: 4762. Total energy = 2315.1916 kcal/mol (2308.9238 without restraints) Performing minimization step: 4763. Total energy = 2314.8103 kcal/mol (2308.5434 without restraints) Performing minimization step: 4764. Total energy = 2314.4287 kcal/mol (2308.1628 without restraints) Performing minimization step: 4765. Total energy = 2314.0473 kcal/mol (2307.7824 without restraints) Performing minimization step: 4766. Total energy = 2313.6671 kcal/mol (2307.4034 without restraints) Performing minimization step: 4767. Total energy = 2313.2871 kcal/mol (2307.0241 without restraints) Performing minimization step: 4768. Total energy = 2312.9075 kcal/mol (2306.6456 without restraints) Performing minimization step: 4769. Total energy = 2312.5274 kcal/mol (2306.2664 without restraints) Performing minimization step: 4770. Total energy = 2312.1472 kcal/mol (2305.8873 without restraints) Performing minimization step: 4771. Total energy = 2311.7681 kcal/mol (2305.5092 without restraints) Performing minimization step: 4772. Total energy = 2311.3886 kcal/mol (2305.1306 without restraints) Performing minimization step: 4773. Total energy = 2311.0093 kcal/mol (2304.7523 without restraints) Performing minimization step: 4774. Total energy = 2310.6301 kcal/mol (2304.3740 without restraints) Performing minimization step: 4775. Total energy = 2310.2511 kcal/mol (2303.9959 without restraints) Performing minimization step: 4776. Total energy = 2309.8725 kcal/mol (2303.6183 without restraints) Performing minimization step: 4777. Total energy = 2309.4945 kcal/mol (2303.2413 without restraints) Performing minimization step: 4778. Total energy = 2309.1162 kcal/mol (2302.8641 without restraints) Performing minimization step: 4779. Total energy = 2308.7385 kcal/mol (2302.4872 without restraints) Performing minimization step: 4780. Total energy = 2308.3615 kcal/mol (2302.1112 without restraints) Performing minimization step: 4781. Total energy = 2307.9833 kcal/mol (2301.7340 without restraints) Performing minimization step: 4782. Total energy = 2307.6058 kcal/mol (2301.3575 without restraints) Performing minimization step: 4783. Total energy = 2307.2289 kcal/mol (2300.9815 without restraints) Performing minimization step: 4784. Total energy = 2306.8517 kcal/mol (2300.6053 without restraints) Performing minimization step: 4785. Total energy = 2306.4752 kcal/mol (2300.2299 without restraints) Performing minimization step: 4786. Total energy = 2306.0991 kcal/mol (2299.8546 without restraints) Performing minimization step: 4787. Total energy = 2305.7226 kcal/mol (2299.4793 without restraints) Performing minimization step: 4788. Total energy = 2305.3466 kcal/mol (2299.1041 without restraints) Performing minimization step: 4789. Total energy = 2304.9706 kcal/mol (2298.7289 without restraints) Performing minimization step: 4790. Total energy = 2304.5946 kcal/mol (2298.3540 without restraints) Performing minimization step: 4791. Total energy = 2304.2189 kcal/mol (2297.9793 without restraints) Performing minimization step: 4792. Total energy = 2303.8434 kcal/mol (2297.6048 without restraints) Performing minimization step: 4793. Total energy = 2303.4682 kcal/mol (2297.2305 without restraints) Performing minimization step: 4794. Total energy = 2303.0933 kcal/mol (2296.8566 without restraints) Performing minimization step: 4795. Total energy = 2302.7185 kcal/mol (2296.4828 without restraints) Performing minimization step: 4796. Total energy = 2302.3442 kcal/mol (2296.1095 without restraints) Performing minimization step: 4797. Total energy = 2301.9701 kcal/mol (2295.7363 without restraints) Performing minimization step: 4798. Total energy = 2301.5963 kcal/mol (2295.3635 without restraints) Performing minimization step: 4799. Total energy = 2301.2222 kcal/mol (2294.9903 without restraints) Performing minimization step: 4800. Total energy = 2300.8486 kcal/mol (2294.6177 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4801. Total energy = 2300.4751 kcal/mol (2294.2451 without restraints) Performing minimization step: 4802. Total energy = 2300.1019 kcal/mol (2293.8731 without restraints) Performing minimization step: 4803. Total energy = 2299.7290 kcal/mol (2293.5008 without restraints) Performing minimization step: 4804. Total energy = 2299.3562 kcal/mol (2293.1292 without restraints) Performing minimization step: 4805. Total energy = 2298.9839 kcal/mol (2292.7579 without restraints) Performing minimization step: 4806. Total energy = 2298.6115 kcal/mol (2292.3864 without restraints) Performing minimization step: 4807. Total energy = 2298.2390 kcal/mol (2292.0148 without restraints) Performing minimization step: 4808. Total energy = 2297.8670 kcal/mol (2291.6438 without restraints) Performing minimization step: 4809. Total energy = 2297.4946 kcal/mol (2291.2724 without restraints) Performing minimization step: 4810. Total energy = 2297.1229 kcal/mol (2290.9016 without restraints) Performing minimization step: 4811. Total energy = 2296.7519 kcal/mol (2290.5317 without restraints) Performing minimization step: 4812. Total energy = 2296.3809 kcal/mol (2290.1617 without restraints) Performing minimization step: 4813. Total energy = 2296.0100 kcal/mol (2289.7916 without restraints) Performing minimization step: 4814. Total energy = 2295.6396 kcal/mol (2289.4222 without restraints) Performing minimization step: 4815. Total energy = 2295.2689 kcal/mol (2289.0525 without restraints) Performing minimization step: 4816. Total energy = 2294.8983 kcal/mol (2288.6828 without restraints) Performing minimization step: 4817. Total energy = 2294.5285 kcal/mol (2288.3141 without restraints) Performing minimization step: 4818. Total energy = 2294.1588 kcal/mol (2287.9453 without restraints) Performing minimization step: 4819. Total energy = 2293.7890 kcal/mol (2287.5764 without restraints) Performing minimization step: 4820. Total energy = 2293.4189 kcal/mol (2287.2073 without restraints) Performing minimization step: 4821. Total energy = 2293.0497 kcal/mol (2286.8390 without restraints) Performing minimization step: 4822. Total energy = 2292.6804 kcal/mol (2286.4707 without restraints) Performing minimization step: 4823. Total energy = 2292.3119 kcal/mol (2286.1033 without restraints) Performing minimization step: 4824. Total energy = 2291.9433 kcal/mol (2285.7358 without restraints) Performing minimization step: 4825. Total energy = 2291.5759 kcal/mol (2285.3691 without restraints) Performing minimization step: 4826. Total energy = 2291.2072 kcal/mol (2285.0013 without restraints) Performing minimization step: 4827. Total energy = 2290.8391 kcal/mol (2284.6342 without restraints) Performing minimization step: 4828. Total energy = 2290.4717 kcal/mol (2284.2678 without restraints) Performing minimization step: 4829. Total energy = 2290.1041 kcal/mol (2283.9011 without restraints) Performing minimization step: 4830. Total energy = 2289.7367 kcal/mol (2283.5346 without restraints) Performing minimization step: 4831. Total energy = 2289.3697 kcal/mol (2283.1687 without restraints) Performing minimization step: 4832. Total energy = 2289.0029 kcal/mol (2282.8027 without restraints) Performing minimization step: 4833. Total energy = 2288.6363 kcal/mol (2282.4371 without restraints) Performing minimization step: 4834. Total energy = 2288.2696 kcal/mol (2282.0714 without restraints) Performing minimization step: 4835. Total energy = 2287.9034 kcal/mol (2281.7061 without restraints) Performing minimization step: 4836. Total energy = 2287.5367 kcal/mol (2281.3404 without restraints) Performing minimization step: 4837. Total energy = 2287.1708 kcal/mol (2280.9754 without restraints) Performing minimization step: 4838. Total energy = 2286.8051 kcal/mol (2280.6106 without restraints) Performing minimization step: 4839. Total energy = 2286.4395 kcal/mol (2280.2461 without restraints) Performing minimization step: 4840. Total energy = 2286.0741 kcal/mol (2279.8815 without restraints) Performing minimization step: 4841. Total energy = 2285.7087 kcal/mol (2279.5172 without restraints) Performing minimization step: 4842. Total energy = 2285.3436 kcal/mol (2279.1530 without restraints) Performing minimization step: 4843. Total energy = 2284.9789 kcal/mol (2278.7893 without restraints) Performing minimization step: 4844. Total energy = 2284.6150 kcal/mol (2278.4263 without restraints) Performing minimization step: 4845. Total energy = 2284.2509 kcal/mol (2278.0631 without restraints) Performing minimization step: 4846. Total energy = 2283.8875 kcal/mol (2277.7009 without restraints) Performing minimization step: 4847. Total energy = 2283.5235 kcal/mol (2277.3377 without restraints) Performing minimization step: 4848. Total energy = 2283.1600 kcal/mol (2276.9751 without restraints) Performing minimization step: 4849. Total energy = 2282.7962 kcal/mol (2276.6123 without restraints) Performing minimization step: 4850. Total energy = 2282.4332 kcal/mol (2276.2502 without restraints) Performing minimization step: 4851. Total energy = 2282.0701 kcal/mol (2275.8881 without restraints) Performing minimization step: 4852. Total energy = 2281.7073 kcal/mol (2275.5261 without restraints) Performing minimization step: 4853. Total energy = 2281.3448 kcal/mol (2275.1647 without restraints) Performing minimization step: 4854. Total energy = 2280.9825 kcal/mol (2274.8034 without restraints) Performing minimization step: 4855. Total energy = 2280.6205 kcal/mol (2274.4422 without restraints) Performing minimization step: 4856. Total energy = 2280.2590 kcal/mol (2274.0818 without restraints) Performing minimization step: 4857. Total energy = 2279.8970 kcal/mol (2273.7207 without restraints) Performing minimization step: 4858. Total energy = 2279.5355 kcal/mol (2273.3604 without restraints) Performing minimization step: 4859. Total energy = 2279.1742 kcal/mol (2272.9999 without restraints) Performing minimization step: 4860. Total energy = 2278.8130 kcal/mol (2272.6396 without restraints) Performing minimization step: 4861. Total energy = 2278.4522 kcal/mol (2272.2797 without restraints) Performing minimization step: 4862. Total energy = 2278.0912 kcal/mol (2271.9196 without restraints) Performing minimization step: 4863. Total energy = 2277.7303 kcal/mol (2271.5597 without restraints) Performing minimization step: 4864. Total energy = 2277.3701 kcal/mol (2271.2005 without restraints) Performing minimization step: 4865. Total energy = 2277.0098 kcal/mol (2270.8411 without restraints) Performing minimization step: 4866. Total energy = 2276.6498 kcal/mol (2270.4820 without restraints) Performing minimization step: 4867. Total energy = 2276.2897 kcal/mol (2270.1229 without restraints) Performing minimization step: 4868. Total energy = 2275.9299 kcal/mol (2269.7640 without restraints) Performing minimization step: 4869. Total energy = 2275.5702 kcal/mol (2269.4053 without restraints) Performing minimization step: 4870. Total energy = 2275.2109 kcal/mol (2269.0470 without restraints) Performing minimization step: 4871. Total energy = 2274.8517 kcal/mol (2268.6886 without restraints) Performing minimization step: 4872. Total energy = 2274.4926 kcal/mol (2268.3306 without restraints) Performing minimization step: 4873. Total energy = 2274.1337 kcal/mol (2267.9725 without restraints) Performing minimization step: 4874. Total energy = 2273.7747 kcal/mol (2267.6145 without restraints) Performing minimization step: 4875. Total energy = 2273.4164 kcal/mol (2267.2572 without restraints) Performing minimization step: 4876. Total energy = 2273.0582 kcal/mol (2266.9000 without restraints) Performing minimization step: 4877. Total energy = 2272.7004 kcal/mol (2266.5431 without restraints) Performing minimization step: 4878. Total energy = 2272.3426 kcal/mol (2266.1862 without restraints) Performing minimization step: 4879. Total energy = 2271.9853 kcal/mol (2265.8298 without restraints) Performing minimization step: 4880. Total energy = 2271.6278 kcal/mol (2265.4733 without restraints) Performing minimization step: 4881. Total energy = 2271.2706 kcal/mol (2265.1170 without restraints) Performing minimization step: 4882. Total energy = 2270.9135 kcal/mol (2264.7609 without restraints) Performing minimization step: 4883. Total energy = 2270.5564 kcal/mol (2264.4048 without restraints) Performing minimization step: 4884. Total energy = 2270.1997 kcal/mol (2264.0490 without restraints) Performing minimization step: 4885. Total energy = 2269.8433 kcal/mol (2263.6935 without restraints) Performing minimization step: 4886. Total energy = 2269.4871 kcal/mol (2263.3384 without restraints) Performing minimization step: 4887. Total energy = 2269.1315 kcal/mol (2262.9839 without restraints) Performing minimization step: 4888. Total energy = 2268.7759 kcal/mol (2262.6291 without restraints) Performing minimization step: 4889. Total energy = 2268.4205 kcal/mol (2262.2745 without restraints) Performing minimization step: 4890. Total energy = 2268.0656 kcal/mol (2261.9208 without restraints) Performing minimization step: 4891. Total energy = 2267.7112 kcal/mol (2261.5671 without restraints) Performing minimization step: 4892. Total energy = 2267.3562 kcal/mol (2261.2130 without restraints) Performing minimization step: 4893. Total energy = 2267.0014 kcal/mol (2260.8592 without restraints) Performing minimization step: 4894. Total energy = 2266.6467 kcal/mol (2260.5055 without restraints) Performing minimization step: 4895. Total energy = 2266.2929 kcal/mol (2260.1525 without restraints) Performing minimization step: 4896. Total energy = 2265.9389 kcal/mol (2259.7995 without restraints) Performing minimization step: 4897. Total energy = 2265.5848 kcal/mol (2259.4463 without restraints) Performing minimization step: 4898. Total energy = 2265.2310 kcal/mol (2259.0935 without restraints) Performing minimization step: 4899. Total energy = 2264.8778 kcal/mol (2258.7414 without restraints) Performing minimization step: 4900. Total energy = 2264.5250 kcal/mol (2258.3895 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 4901. Total energy = 2264.1722 kcal/mol (2258.0375 without restraints) Performing minimization step: 4902. Total energy = 2263.8195 kcal/mol (2257.6860 without restraints) Performing minimization step: 4903. Total energy = 2263.4664 kcal/mol (2257.3333 without restraints) Performing minimization step: 4904. Total energy = 2263.1137 kcal/mol (2256.9819 without restraints) Performing minimization step: 4905. Total energy = 2262.7613 kcal/mol (2256.6304 without restraints) Performing minimization step: 4906. Total energy = 2262.4081 kcal/mol (2256.2780 without restraints) Performing minimization step: 4907. Total energy = 2262.0563 kcal/mol (2255.9274 without restraints) Performing minimization step: 4908. Total energy = 2261.7050 kcal/mol (2255.5770 without restraints) Performing minimization step: 4909. Total energy = 2261.3537 kcal/mol (2255.2266 without restraints) Performing minimization step: 4910. Total energy = 2261.0026 kcal/mol (2254.8764 without restraints) Performing minimization step: 4911. Total energy = 2260.6513 kcal/mol (2254.5261 without restraints) Performing minimization step: 4912. Total energy = 2260.3004 kcal/mol (2254.1761 without restraints) Performing minimization step: 4913. Total energy = 2259.9499 kcal/mol (2253.8265 without restraints) Performing minimization step: 4914. Total energy = 2259.5993 kcal/mol (2253.4770 without restraints) Performing minimization step: 4915. Total energy = 2259.2491 kcal/mol (2253.1276 without restraints) Performing minimization step: 4916. Total energy = 2258.8988 kcal/mol (2252.7782 without restraints) Performing minimization step: 4917. Total energy = 2258.5486 kcal/mol (2252.4290 without restraints) Performing minimization step: 4918. Total energy = 2258.1985 kcal/mol (2252.0798 without restraints) Performing minimization step: 4919. Total energy = 2257.8490 kcal/mol (2251.7312 without restraints) Performing minimization step: 4920. Total energy = 2257.4999 kcal/mol (2251.3830 without restraints) Performing minimization step: 4921. Total energy = 2257.1508 kcal/mol (2251.0350 without restraints) Performing minimization step: 4922. Total energy = 2256.8021 kcal/mol (2250.6872 without restraints) Performing minimization step: 4923. Total energy = 2256.4536 kcal/mol (2250.3395 without restraints) Performing minimization step: 4924. Total energy = 2256.1048 kcal/mol (2249.9917 without restraints) Performing minimization step: 4925. Total energy = 2255.7565 kcal/mol (2249.6445 without restraints) Performing minimization step: 4926. Total energy = 2255.4086 kcal/mol (2249.2974 without restraints) Performing minimization step: 4927. Total energy = 2255.0605 kcal/mol (2248.9504 without restraints) Performing minimization step: 4928. Total energy = 2254.7126 kcal/mol (2248.6033 without restraints) Performing minimization step: 4929. Total energy = 2254.3656 kcal/mol (2248.2573 without restraints) Performing minimization step: 4930. Total energy = 2254.0183 kcal/mol (2247.9111 without restraints) Performing minimization step: 4931. Total energy = 2253.6717 kcal/mol (2247.5652 without restraints) Performing minimization step: 4932. Total energy = 2253.3246 kcal/mol (2247.2191 without restraints) Performing minimization step: 4933. Total energy = 2252.9779 kcal/mol (2246.8732 without restraints) Performing minimization step: 4934. Total energy = 2252.6318 kcal/mol (2246.5283 without restraints) Performing minimization step: 4935. Total energy = 2252.2855 kcal/mol (2246.1827 without restraints) Performing minimization step: 4936. Total energy = 2251.9392 kcal/mol (2245.8374 without restraints) Performing minimization step: 4937. Total energy = 2251.5930 kcal/mol (2245.4921 without restraints) Performing minimization step: 4938. Total energy = 2251.2469 kcal/mol (2245.1469 without restraints) Performing minimization step: 4939. Total energy = 2250.9010 kcal/mol (2244.8020 without restraints) Performing minimization step: 4940. Total energy = 2250.5555 kcal/mol (2244.4575 without restraints) Performing minimization step: 4941. Total energy = 2250.2102 kcal/mol (2244.1131 without restraints) Performing minimization step: 4942. Total energy = 2249.8652 kcal/mol (2243.7690 without restraints) Performing minimization step: 4943. Total energy = 2249.5201 kcal/mol (2243.4248 without restraints) Performing minimization step: 4944. Total energy = 2249.1758 kcal/mol (2243.0815 without restraints) Performing minimization step: 4945. Total energy = 2248.8316 kcal/mol (2242.7382 without restraints) Performing minimization step: 4946. Total energy = 2248.4876 kcal/mol (2242.3951 without restraints) Performing minimization step: 4947. Total energy = 2248.1434 kcal/mol (2242.0520 without restraints) Performing minimization step: 4948. Total energy = 2247.7998 kcal/mol (2241.7092 without restraints) Performing minimization step: 4949. Total energy = 2247.4561 kcal/mol (2241.3664 without restraints) Performing minimization step: 4950. Total energy = 2247.1126 kcal/mol (2241.0239 without restraints) Performing minimization step: 4951. Total energy = 2246.7695 kcal/mol (2240.6817 without restraints) Performing minimization step: 4952. Total energy = 2246.4264 kcal/mol (2240.3395 without restraints) Performing minimization step: 4953. Total energy = 2246.0835 kcal/mol (2239.9976 without restraints) Performing minimization step: 4954. Total energy = 2245.7408 kcal/mol (2239.6558 without restraints) Performing minimization step: 4955. Total energy = 2245.3985 kcal/mol (2239.3144 without restraints) Performing minimization step: 4956. Total energy = 2245.0559 kcal/mol (2238.9728 without restraints) Performing minimization step: 4957. Total energy = 2244.7135 kcal/mol (2238.6313 without restraints) Performing minimization step: 4958. Total energy = 2244.3716 kcal/mol (2238.2905 without restraints) Performing minimization step: 4959. Total energy = 2244.0298 kcal/mol (2237.9495 without restraints) Performing minimization step: 4960. Total energy = 2243.6880 kcal/mol (2237.6086 without restraints) Performing minimization step: 4961. Total energy = 2243.3464 kcal/mol (2237.2679 without restraints) Performing minimization step: 4962. Total energy = 2243.0052 kcal/mol (2236.9276 without restraints) Performing minimization step: 4963. Total energy = 2242.6637 kcal/mol (2236.5869 without restraints) Performing minimization step: 4964. Total energy = 2242.3230 kcal/mol (2236.2473 without restraints) Performing minimization step: 4965. Total energy = 2241.9823 kcal/mol (2235.9076 without restraints) Performing minimization step: 4966. Total energy = 2241.6418 kcal/mol (2235.5679 without restraints) Performing minimization step: 4967. Total energy = 2241.3016 kcal/mol (2235.2287 without restraints) Performing minimization step: 4968. Total energy = 2240.9615 kcal/mol (2234.8896 without restraints) Performing minimization step: 4969. Total energy = 2240.6220 kcal/mol (2234.5509 without restraints) Performing minimization step: 4970. Total energy = 2240.2821 kcal/mol (2234.2119 without restraints) Performing minimization step: 4971. Total energy = 2239.9427 kcal/mol (2233.8736 without restraints) Performing minimization step: 4972. Total energy = 2239.6033 kcal/mol (2233.5350 without restraints) Performing minimization step: 4973. Total energy = 2239.2640 kcal/mol (2233.1968 without restraints) Performing minimization step: 4974. Total energy = 2238.9250 kcal/mol (2232.8586 without restraints) Performing minimization step: 4975. Total energy = 2238.5860 kcal/mol (2232.5206 without restraints) Performing minimization step: 4976. Total energy = 2238.2477 kcal/mol (2232.1833 without restraints) Performing minimization step: 4977. Total energy = 2237.9088 kcal/mol (2231.8452 without restraints) Performing minimization step: 4978. Total energy = 2237.5706 kcal/mol (2231.5080 without restraints) Performing minimization step: 4979. Total energy = 2237.2327 kcal/mol (2231.1710 without restraints) Performing minimization step: 4980. Total energy = 2236.8950 kcal/mol (2230.8342 without restraints) Performing minimization step: 4981. Total energy = 2236.5575 kcal/mol (2230.4976 without restraints) Performing minimization step: 4982. Total energy = 2236.2197 kcal/mol (2230.1609 without restraints) Performing minimization step: 4983. Total energy = 2235.8835 kcal/mol (2229.8257 without restraints) Performing minimization step: 4984. Total energy = 2235.5465 kcal/mol (2229.4894 without restraints) Performing minimization step: 4985. Total energy = 2235.2095 kcal/mol (2229.1533 without restraints) Performing minimization step: 4986. Total energy = 2234.8726 kcal/mol (2228.8174 without restraints) Performing minimization step: 4987. Total energy = 2234.5360 kcal/mol (2228.4817 without restraints) Performing minimization step: 4988. Total energy = 2234.1999 kcal/mol (2228.1465 without restraints) Performing minimization step: 4989. Total energy = 2233.8638 kcal/mol (2227.8114 without restraints) Performing minimization step: 4990. Total energy = 2233.5279 kcal/mol (2227.4764 without restraints) Performing minimization step: 4991. Total energy = 2233.1921 kcal/mol (2227.1415 without restraints) Performing minimization step: 4992. Total energy = 2232.8564 kcal/mol (2226.8067 without restraints) Performing minimization step: 4993. Total energy = 2232.5213 kcal/mol (2226.4725 without restraints) Performing minimization step: 4994. Total energy = 2232.1860 kcal/mol (2226.1381 without restraints) Performing minimization step: 4995. Total energy = 2231.8507 kcal/mol (2225.8037 without restraints) Performing minimization step: 4996. Total energy = 2231.5160 kcal/mol (2225.4700 without restraints) Performing minimization step: 4997. Total energy = 2231.1814 kcal/mol (2225.1364 without restraints) Performing minimization step: 4998. Total energy = 2230.8473 kcal/mol (2224.8031 without restraints) Performing minimization step: 4999. Total energy = 2230.5130 kcal/mol (2224.4698 without restraints) Performing minimization step: 5000. Total energy = 2230.1788 kcal/mol (2224.1366 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/f945d5a2/tmp/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx/BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. /home/ubuntu/rna-tools//opt/qrnas/ Save to BKL10Bsep8M-b7fe1870_sim_minE_TOTAL-000001_AA_refx.pdb DONE!