============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8df67750/tmp/pz44-3_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/8df67750/tmp/pz44-3_refx/pz44-3.pdb ============================================================================= Atom's 1 H5T residue renamed to RG5 Atom's 2 O5' residue renamed to RG5 Atom's 3 C5' residue renamed to RG5 Atom's 4 H5'1 residue renamed to RG5 Atom's 5 H5'2 residue renamed to RG5 Atom's 6 C4' residue renamed to RG5 Atom's 7 H4' residue renamed to RG5 Atom's 8 O4' residue renamed to RG5 Atom's 9 C1' residue renamed to RG5 Atom's 10 H1' residue renamed to RG5 Atom's 11 N9 residue renamed to RG5 Atom's 12 C4 residue renamed to RG5 Atom's 13 N3 residue renamed to RG5 Atom's 14 C2 residue renamed to RG5 Atom's 15 N2 residue renamed to RG5 Atom's 16 H21 residue renamed to RG5 Atom's 17 H22 residue renamed to RG5 Atom's 18 N1 residue renamed to RG5 Atom's 19 H1 residue renamed to RG5 Atom's 20 C6 residue renamed to RG5 Atom's 21 O6 residue renamed to RG5 Atom's 22 C5 residue renamed to RG5 Atom's 23 N7 residue renamed to RG5 Atom's 24 C8 residue renamed to RG5 Atom's 25 H8 residue renamed to RG5 Atom's 26 C2' residue renamed to RG5 Atom's 27 H2' residue renamed to RG5 Atom's 28 O2' residue renamed to RG5 Atom's 29 HO'2 residue renamed to RG5 Atom's 30 C3' residue renamed to RG5 Atom's 31 H3' residue renamed to RG5 Atom's 32 O3' residue renamed to RG5 Atom's 1697 H3T residue renamed to RU3 Atom's 1696 O3' residue renamed to RU3 Atom's 1695 C3' residue renamed to RU3 Atom's 1694 H3' residue renamed to RU3 Atom's 1693 HO'2 residue renamed to RU3 Atom's 1692 O2' residue renamed to RU3 Atom's 1691 H2' residue renamed to RU3 Atom's 1690 C2' residue renamed to RU3 Atom's 1689 H5 residue renamed to RU3 Atom's 1688 C5 residue renamed to RU3 Atom's 1687 O4 residue renamed to RU3 Atom's 1686 C4 residue renamed to RU3 Atom's 1685 H3 residue renamed to RU3 Atom's 1684 N3 residue renamed to RU3 Atom's 1683 O2 residue renamed to RU3 Atom's 1682 C2 residue renamed to RU3 Atom's 1681 H6 residue renamed to RU3 Atom's 1680 C6 residue renamed to RU3 Atom's 1679 N1 residue renamed to RU3 Atom's 1678 H1' residue renamed to RU3 Atom's 1677 C1' residue renamed to RU3 Atom's 1676 O4' residue renamed to RU3 Atom's 1675 H4' residue renamed to RU3 Atom's 1674 C4' residue renamed to RU3 Atom's 1673 H5'2 residue renamed to RU3 Atom's 1672 H5'1 residue renamed to RU3 Atom's 1671 C5' residue renamed to RU3 Atom's 1670 O5' residue renamed to RU3 Atom's 1669 OP2 residue renamed to RU3 Atom's 1668 OP1 residue renamed to RU3 Atom's 1667 P residue renamed to RU3 Number of atoms: 1697 Number of residues: 53 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: 1827 Number of angles built: 3268 Number of dihedrals built: 4979 Number of impropers built: 360 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 1433961 Number of van der Waals pairs: 223553 Number of H-bonds built: 58 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 14 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 2815 kcal/mol (2810 without restraints) Performing minimization step: 2. Total energy = 2805 kcal/mol (2801 without restraints) Performing minimization step: 3. Total energy = 2796 kcal/mol (2791 without restraints) Performing minimization step: 4. Total energy = 2787 kcal/mol (2782 without restraints) Performing minimization step: 5. Total energy = 2778 kcal/mol (2773 without restraints) Performing minimization step: 6. Total energy = 2769 kcal/mol (2765 without restraints) Performing minimization step: 7. Total energy = 2761 kcal/mol (2756 without restraints) Performing minimization step: 8. Total energy = 2753 kcal/mol (2748 without restraints) Performing minimization step: 9. Total energy = 2744 kcal/mol (2740 without restraints) Performing minimization step: 10. Total energy = 2736 kcal/mol (2732 without restraints) Performing minimization step: 11. Total energy = 2729 kcal/mol (2724 without restraints) Performing minimization step: 12. Total energy = 2721 kcal/mol (2717 without restraints) Performing minimization step: 13. Total energy = 2714 kcal/mol (2709 without restraints) Performing minimization step: 14. Total energy = 2706 kcal/mol (2702 without restraints) Performing minimization step: 15. Total energy = 2699 kcal/mol (2695 without restraints) Performing minimization step: 16. Total energy = 2692 kcal/mol (2688 without restraints) Performing minimization step: 17. Total energy = 2685 kcal/mol (2681 without restraints) Performing minimization step: 18. Total energy = 2678 kcal/mol (2674 without restraints) Performing minimization step: 19. Total energy = 2671 kcal/mol (2667 without restraints) Performing minimization step: 20. Total energy = 2665 kcal/mol (2660 without restraints) Performing minimization step: 21. Total energy = 2658 kcal/mol (2654 without restraints) Performing minimization step: 22. Total energy = 2652 kcal/mol (2648 without restraints) Performing minimization step: 23. Total energy = 2645 kcal/mol (2641 without restraints) Performing minimization step: 24. Total energy = 2639 kcal/mol (2635 without restraints) Performing minimization step: 25. Total energy = 2633 kcal/mol (2629 without restraints) Performing minimization step: 26. Total energy = 2627 kcal/mol (2623 without restraints) Performing minimization step: 27. Total energy = 2621 kcal/mol (2617 without restraints) Performing minimization step: 28. Total energy = 2615 kcal/mol (2611 without restraints) Performing minimization step: 29. Total energy = 2609 kcal/mol (2605 without restraints) Performing minimization step: 30. Total energy = 2604 kcal/mol (2599 without restraints) Performing minimization step: 31. Total energy = 2598 kcal/mol (2594 without restraints) Performing minimization step: 32. Total energy = 2592 kcal/mol (2588 without restraints) Performing minimization step: 33. Total energy = 2587 kcal/mol (2583 without restraints) Performing minimization step: 34. Total energy = 2581 kcal/mol (2577 without restraints) Performing minimization step: 35. Total energy = 2576 kcal/mol (2572 without restraints) Performing minimization step: 36. Total energy = 2570 kcal/mol (2566 without restraints) Performing minimization step: 37. Total energy = 2565 kcal/mol (2561 without restraints) Performing minimization step: 38. Total energy = 2560 kcal/mol (2556 without restraints) Performing minimization step: 39. Total energy = 2555 kcal/mol (2551 without restraints) Performing minimization step: 40. Total energy = 2550 kcal/mol (2545 without restraints) Performing minimization step: 41. Total energy = 2545 kcal/mol (2540 without restraints) Performing minimization step: 42. Total energy = 2540 kcal/mol (2535 without restraints) Performing minimization step: 43. Total energy = 2535 kcal/mol (2530 without restraints) Performing minimization step: 44. Total energy = 2530 kcal/mol (2526 without restraints) Performing minimization step: 45. Total energy = 2525 kcal/mol (2521 without restraints) Performing minimization step: 46. Total energy = 2520 kcal/mol (2516 without restraints) Performing minimization step: 47. Total energy = 2515 kcal/mol (2511 without restraints) Performing minimization step: 48. Total energy = 2510 kcal/mol (2506 without restraints) Performing minimization step: 49. Total energy = 2506 kcal/mol (2502 without restraints) Performing minimization step: 50. Total energy = 2501 kcal/mol (2497 without restraints) Performing minimization step: 51. Total energy = 2497 kcal/mol (2492 without restraints) Performing minimization step: 52. Total energy = 2492 kcal/mol (2488 without restraints) Performing minimization step: 53. Total energy = 2488 kcal/mol (2483 without restraints) Performing minimization step: 54. Total energy = 2483 kcal/mol (2479 without restraints) Performing minimization step: 55. Total energy = 2479 kcal/mol (2475 without restraints) Performing minimization step: 56. Total energy = 2474 kcal/mol (2470 without restraints) Performing minimization step: 57. Total energy = 2470 kcal/mol (2466 without restraints) Performing minimization step: 58. Total energy = 2466 kcal/mol (2462 without restraints) Performing minimization step: 59. Total energy = 2461 kcal/mol (2457 without restraints) Performing minimization step: 60. Total energy = 2457 kcal/mol (2453 without restraints) Performing minimization step: 61. Total energy = 2453 kcal/mol (2449 without restraints) Performing minimization step: 62. Total energy = 2449 kcal/mol (2445 without restraints) Performing minimization step: 63. Total energy = 2445 kcal/mol (2441 without restraints) Performing minimization step: 64. Total energy = 2441 kcal/mol (2437 without restraints) Performing minimization step: 65. Total energy = 2437 kcal/mol (2433 without restraints) Performing minimization step: 66. Total energy = 2433 kcal/mol (2429 without restraints) Performing minimization step: 67. Total energy = 2429 kcal/mol (2425 without restraints) Performing minimization step: 68. Total energy = 2425 kcal/mol (2421 without restraints) Performing minimization step: 69. Total energy = 2421 kcal/mol (2417 without restraints) Performing minimization step: 70. Total energy = 2417 kcal/mol (2413 without restraints) Performing minimization step: 71. Total energy = 2413 kcal/mol (2409 without restraints) Performing minimization step: 72. Total energy = 2409 kcal/mol (2405 without restraints) Performing minimization step: 73. Total energy = 2405 kcal/mol (2401 without restraints) Performing minimization step: 74. Total energy = 2402 kcal/mol (2398 without restraints) Performing minimization step: 75. Total energy = 2398 kcal/mol (2394 without restraints) Performing minimization step: 76. Total energy = 2394 kcal/mol (2390 without restraints) Performing minimization step: 77. Total energy = 2391 kcal/mol (2387 without restraints) Performing minimization step: 78. Total energy = 2387 kcal/mol (2383 without restraints) Performing minimization step: 79. Total energy = 2383 kcal/mol (2379 without restraints) Performing minimization step: 80. Total energy = 2380 kcal/mol (2376 without restraints) Performing minimization step: 81. Total energy = 2376 kcal/mol (2372 without restraints) Performing minimization step: 82. Total energy = 2373 kcal/mol (2369 without restraints) Performing minimization step: 83. Total energy = 2369 kcal/mol (2365 without restraints) Performing minimization step: 84. Total energy = 2366 kcal/mol (2362 without restraints) Performing minimization step: 85. Total energy = 2362 kcal/mol (2358 without restraints) Performing minimization step: 86. Total energy = 2359 kcal/mol (2355 without restraints) Performing minimization step: 87. Total energy = 2356 kcal/mol (2352 without restraints) Performing minimization step: 88. Total energy = 2352 kcal/mol (2348 without restraints) Performing minimization step: 89. Total energy = 2349 kcal/mol (2345 without restraints) Performing minimization step: 90. Total energy = 2346 kcal/mol (2342 without restraints) Performing minimization step: 91. Total energy = 2342 kcal/mol (2338 without restraints) Performing minimization step: 92. Total energy = 2339 kcal/mol (2335 without restraints) Performing minimization step: 93. Total energy = 2336 kcal/mol (2332 without restraints) Performing minimization step: 94. Total energy = 2333 kcal/mol (2329 without restraints) Performing minimization step: 95. Total energy = 2329 kcal/mol (2325 without restraints) Performing minimization step: 96. Total energy = 2326 kcal/mol (2322 without restraints) Performing minimization step: 97. Total energy = 2323 kcal/mol (2319 without restraints) Performing minimization step: 98. Total energy = 2320 kcal/mol (2316 without restraints) Performing minimization step: 99. Total energy = 2317 kcal/mol (2313 without restraints) Performing minimization step: 100. Total energy = 2314 kcal/mol (2310 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8df67750/tmp/pz44-3_refx/pz44-3_refx.pdb ...Done. Performing minimization step: 101. Total energy = 2311 kcal/mol (2307 without restraints) Performing minimization step: 102. Total energy = 2308 kcal/mol (2304 without restraints) Performing minimization step: 103. Total energy = 2305 kcal/mol (2301 without restraints) Performing minimization step: 104. Total energy = 2302 kcal/mol (2298 without restraints) Performing minimization step: 105. Total energy = 2299 kcal/mol (2295 without restraints) Performing minimization step: 106. Total energy = 2296 kcal/mol (2292 without restraints) Performing minimization step: 107. Total energy = 2293 kcal/mol (2289 without restraints) Performing minimization step: 108. Total energy = 2290 kcal/mol (2286 without restraints) Performing minimization step: 109. Total energy = 2287 kcal/mol (2283 without restraints) Performing minimization step: 110. Total energy = 2284 kcal/mol (2280 without restraints) Performing minimization step: 111. Total energy = 2281 kcal/mol (2278 without restraints) Performing minimization step: 112. Total energy = 2278 kcal/mol (2275 without restraints) Performing minimization step: 113. Total energy = 2276 kcal/mol (2272 without restraints) Performing minimization step: 114. Total energy = 2273 kcal/mol (2269 without restraints) Performing minimization step: 115. Total energy = 2270 kcal/mol (2266 without restraints) Performing minimization step: 116. Total energy = 2267 kcal/mol (2264 without restraints) Performing minimization step: 117. Total energy = 2265 kcal/mol (2261 without restraints) Performing minimization step: 118. Total energy = 2262 kcal/mol (2258 without restraints) Performing minimization step: 119. Total energy = 2259 kcal/mol (2255 without restraints) Performing minimization step: 120. Total energy = 2257 kcal/mol (2253 without restraints) Performing minimization step: 121. Total energy = 2254 kcal/mol (2250 without restraints) Performing minimization step: 122. Total energy = 2251 kcal/mol (2247 without restraints) Performing minimization step: 123. Total energy = 2249 kcal/mol (2245 without restraints) Performing minimization step: 124. Total energy = 2246 kcal/mol (2242 without restraints) Performing minimization step: 125. Total energy = 2243 kcal/mol (2240 without restraints) Performing minimization step: 126. Total energy = 2241 kcal/mol (2237 without restraints) Performing minimization step: 127. Total energy = 2238 kcal/mol (2235 without restraints) Performing minimization step: 128. Total energy = 2236 kcal/mol (2232 without restraints) Performing minimization step: 129. Total energy = 2233 kcal/mol (2229 without restraints) Performing minimization step: 130. Total energy = 2231 kcal/mol (2227 without restraints) Performing minimization step: 131. Total energy = 2228 kcal/mol (2224 without restraints) Performing minimization step: 132. Total energy = 2226 kcal/mol (2222 without restraints) Performing minimization step: 133. Total energy = 2223 kcal/mol (2219 without restraints) Performing minimization step: 134. Total energy = 2221 kcal/mol (2217 without restraints) Performing minimization step: 135. Total energy = 2218 kcal/mol (2215 without restraints) Performing minimization step: 136. Total energy = 2216 kcal/mol (2212 without restraints) Performing minimization step: 137. Total energy = 2213 kcal/mol (2210 without restraints) Performing minimization step: 138. Total energy = 2211 kcal/mol (2207 without restraints) Performing minimization step: 139. Total energy = 2209 kcal/mol (2205 without restraints) Performing minimization step: 140. Total energy = 2206 kcal/mol (2203 without restraints) Performing minimization step: 141. Total energy = 2204 kcal/mol (2200 without restraints) Performing minimization step: 142. Total energy = 2202 kcal/mol (2198 without restraints) Performing minimization step: 143. Total energy = 2199 kcal/mol (2196 without restraints) Performing minimization step: 144. Total energy = 2197 kcal/mol (2193 without restraints) Performing minimization step: 145. Total energy = 2195 kcal/mol (2191 without restraints) Performing minimization step: 146. Total energy = 2192 kcal/mol (2189 without restraints) Performing minimization step: 147. Total energy = 2190 kcal/mol (2186 without restraints) Performing minimization step: 148. Total energy = 2188 kcal/mol (2184 without restraints) Performing minimization step: 149. Total energy = 2186 kcal/mol (2182 without restraints) Performing minimization step: 150. Total energy = 2183 kcal/mol (2180 without restraints) Performing minimization step: 151. Total energy = 2181 kcal/mol (2177 without restraints) Performing minimization step: 152. Total energy = 2179 kcal/mol (2175 without restraints) Performing minimization step: 153. Total energy = 2177 kcal/mol (2173 without restraints) Performing minimization step: 154. Total energy = 2175 kcal/mol (2171 without restraints) Performing minimization step: 155. Total energy = 2172 kcal/mol (2169 without restraints) Performing minimization step: 156. Total energy = 2170 kcal/mol (2166 without restraints) Performing minimization step: 157. Total energy = 2168 kcal/mol (2164 without restraints) Performing minimization step: 158. Total energy = 2166 kcal/mol (2162 without restraints) Performing minimization step: 159. Total energy = 2164 kcal/mol (2160 without restraints) Performing minimization step: 160. Total energy = 2162 kcal/mol (2158 without restraints) Performing minimization step: 161. Total energy = 2159 kcal/mol (2156 without restraints) Performing minimization step: 162. Total energy = 2157 kcal/mol (2154 without restraints) Performing minimization step: 163. Total energy = 2155 kcal/mol (2152 without restraints) Performing minimization step: 164. Total energy = 2153 kcal/mol (2150 without restraints) Performing minimization step: 165. Total energy = 2151 kcal/mol (2147 without restraints) Performing minimization step: 166. Total energy = 2149 kcal/mol (2145 without restraints) Performing minimization step: 167. Total energy = 2147 kcal/mol (2143 without restraints) Performing minimization step: 168. Total energy = 2145 kcal/mol (2141 without restraints) Performing minimization step: 169. Total energy = 2143 kcal/mol (2139 without restraints) Performing minimization step: 170. Total energy = 2141 kcal/mol (2137 without restraints) Performing minimization step: 171. Total energy = 2139 kcal/mol (2135 without restraints) Performing minimization step: 172. Total energy = 2137 kcal/mol (2133 without restraints) Performing minimization step: 173. Total energy = 2135 kcal/mol (2131 without restraints) Performing minimization step: 174. Total energy = 2133 kcal/mol (2129 without restraints) Performing minimization step: 175. Total energy = 2131 kcal/mol (2127 without restraints) Performing minimization step: 176. Total energy = 2129 kcal/mol (2125 without restraints) Performing minimization step: 177. Total energy = 2127 kcal/mol (2123 without restraints) Performing minimization step: 178. Total energy = 2125 kcal/mol (2121 without restraints) Performing minimization step: 179. Total energy = 2123 kcal/mol (2119 without restraints) Performing minimization step: 180. Total energy = 2121 kcal/mol (2118 without restraints) Performing minimization step: 181. Total energy = 2119 kcal/mol (2116 without restraints) Performing minimization step: 182. Total energy = 2117 kcal/mol (2114 without restraints) Performing minimization step: 183. Total energy = 2115 kcal/mol (2112 without restraints) Performing minimization step: 184. Total energy = 2113 kcal/mol (2110 without restraints) Performing minimization step: 185. Total energy = 2112 kcal/mol (2108 without restraints) Performing minimization step: 186. Total energy = 2110 kcal/mol (2106 without restraints) Performing minimization step: 187. Total energy = 2108 kcal/mol (2104 without restraints) Performing minimization step: 188. Total energy = 2106 kcal/mol (2102 without restraints) Performing minimization step: 189. Total energy = 2104 kcal/mol (2100 without restraints) Performing minimization step: 190. Total energy = 2102 kcal/mol (2099 without restraints) Performing minimization step: 191. Total energy = 2100 kcal/mol (2097 without restraints) Performing minimization step: 192. Total energy = 2099 kcal/mol (2095 without restraints) Performing minimization step: 193. Total energy = 2097 kcal/mol (2093 without restraints) Performing minimization step: 194. Total energy = 2095 kcal/mol (2091 without restraints) Performing minimization step: 195. Total energy = 2093 kcal/mol (2089 without restraints) Performing minimization step: 196. Total energy = 2091 kcal/mol (2088 without restraints) Performing minimization step: 197. Total energy = 2089 kcal/mol (2086 without restraints) Performing minimization step: 198. Total energy = 2088 kcal/mol (2084 without restraints) Performing minimization step: 199. Total energy = 2086 kcal/mol (2082 without restraints) Performing minimization step: 200. Total energy = 2084 kcal/mol (2081 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8df67750/tmp/pz44-3_refx/pz44-3_refx.pdb ...Done. Performing minimization step: 201. Total energy = 2082 kcal/mol (2079 without restraints) Performing minimization step: 202. Total energy = 2081 kcal/mol (2077 without restraints) Performing minimization step: 203. Total energy = 2079 kcal/mol (2075 without restraints) Performing minimization step: 204. Total energy = 2077 kcal/mol (2073 without restraints) Performing minimization step: 205. Total energy = 2075 kcal/mol (2072 without restraints) Performing minimization step: 206. Total energy = 2074 kcal/mol (2070 without restraints) Performing minimization step: 207. Total energy = 2072 kcal/mol (2068 without restraints) Performing minimization step: 208. Total energy = 2070 kcal/mol (2067 without restraints) Performing minimization step: 209. Total energy = 2068 kcal/mol (2065 without restraints) Performing minimization step: 210. Total energy = 2067 kcal/mol (2063 without restraints) Performing minimization step: 211. Total energy = 2065 kcal/mol (2061 without restraints) Performing minimization step: 212. Total energy = 2063 kcal/mol (2060 without restraints) Performing minimization step: 213. Total energy = 2062 kcal/mol (2058 without restraints) Performing minimization step: 214. Total energy = 2060 kcal/mol (2056 without restraints) Performing minimization step: 215. Total energy = 2058 kcal/mol (2055 without restraints) Performing minimization step: 216. Total energy = 2057 kcal/mol (2053 without restraints) Performing minimization step: 217. Total energy = 2055 kcal/mol (2051 without restraints) Performing minimization step: 218. Total energy = 2053 kcal/mol (2050 without restraints) Performing minimization step: 219. Total energy = 2052 kcal/mol (2048 without restraints) Performing minimization step: 220. Total energy = 2050 kcal/mol (2046 without restraints) Performing minimization step: 221. Total energy = 2048 kcal/mol (2045 without restraints) Performing minimization step: 222. Total energy = 2047 kcal/mol (2043 without restraints) Performing minimization step: 223. Total energy = 2045 kcal/mol (2041 without restraints) Performing minimization step: 224. Total energy = 2043 kcal/mol (2040 without restraints) Performing minimization step: 225. Total energy = 2042 kcal/mol (2038 without restraints) Performing minimization step: 226. Total energy = 2040 kcal/mol (2037 without restraints) Performing minimization step: 227. Total energy = 2039 kcal/mol (2035 without restraints) Performing minimization step: 228. Total energy = 2037 kcal/mol (2033 without restraints) Performing minimization step: 229. Total energy = 2035 kcal/mol (2032 without restraints) Performing minimization step: 230. Total energy = 2034 kcal/mol (2030 without restraints) Performing minimization step: 231. Total energy = 2032 kcal/mol (2029 without restraints) Performing minimization step: 232. Total energy = 2031 kcal/mol (2027 without restraints) Performing minimization step: 233. Total energy = 2029 kcal/mol (2026 without restraints) Performing minimization step: 234. Total energy = 2027 kcal/mol (2024 without restraints) Performing minimization step: 235. Total energy = 2026 kcal/mol (2022 without restraints) Performing minimization step: 236. Total energy = 2024 kcal/mol (2021 without restraints) Performing minimization step: 237. Total energy = 2023 kcal/mol (2019 without restraints) Performing minimization step: 238. Total energy = 2021 kcal/mol (2018 without restraints) Performing minimization step: 239. Total energy = 2020 kcal/mol (2016 without restraints) Performing minimization step: 240. Total energy = 2018 kcal/mol (2015 without restraints) Performing minimization step: 241. Total energy = 2017 kcal/mol (2013 without restraints) Performing minimization step: 242. Total energy = 2015 kcal/mol (2012 without restraints) Performing minimization step: 243. Total energy = 2014 kcal/mol (2010 without restraints) Performing minimization step: 244. Total energy = 2012 kcal/mol (2009 without restraints) Performing minimization step: 245. Total energy = 2011 kcal/mol (2007 without restraints) Performing minimization step: 246. Total energy = 2009 kcal/mol (2006 without restraints) Performing minimization step: 247. Total energy = 2008 kcal/mol (2004 without restraints) Performing minimization step: 248. Total energy = 2006 kcal/mol (2003 without restraints) Performing minimization step: 249. Total energy = 2005 kcal/mol (2001 without restraints) Performing minimization step: 250. Total energy = 2003 kcal/mol (2000 without restraints) Performing minimization step: 251. Total energy = 2002 kcal/mol (1998 without restraints) Performing minimization step: 252. Total energy = 2000 kcal/mol (1997 without restraints) Performing minimization step: 253. Total energy = 1999 kcal/mol (1995 without restraints) Performing minimization step: 254. Total energy = 1997 kcal/mol (1994 without restraints) Performing minimization step: 255. Total energy = 1996 kcal/mol (1992 without restraints) Performing minimization step: 256. Total energy = 1994 kcal/mol (1991 without restraints) Performing minimization step: 257. Total energy = 1993 kcal/mol (1989 without restraints) Performing minimization step: 258. Total energy = 1991 kcal/mol (1988 without restraints) Performing minimization step: 259. Total energy = 1990 kcal/mol (1986 without restraints) Performing minimization step: 260. Total energy = 1988 kcal/mol (1985 without restraints) Performing minimization step: 261. Total energy = 1987 kcal/mol (1984 without restraints) Performing minimization step: 262. Total energy = 1986 kcal/mol (1982 without restraints) Performing minimization step: 263. Total energy = 1984 kcal/mol (1981 without restraints) Performing minimization step: 264. Total energy = 1983 kcal/mol (1979 without restraints) Performing minimization step: 265. Total energy = 1981 kcal/mol (1978 without restraints) Performing minimization step: 266. Total energy = 1980 kcal/mol (1976 without restraints) Performing minimization step: 267. Total energy = 1978 kcal/mol (1975 without restraints) Performing minimization step: 268. Total energy = 1977 kcal/mol (1974 without restraints) Performing minimization step: 269. Total energy = 1976 kcal/mol (1972 without restraints) Performing minimization step: 270. Total energy = 1974 kcal/mol (1971 without restraints) Performing minimization step: 271. Total energy = 1973 kcal/mol (1969 without restraints) Performing minimization step: 272. Total energy = 1971 kcal/mol (1968 without restraints) Performing minimization step: 273. Total energy = 1970 kcal/mol (1967 without restraints) Performing minimization step: 274. Total energy = 1969 kcal/mol (1965 without restraints) Performing minimization step: 275. Total energy = 1967 kcal/mol (1964 without restraints) Performing minimization step: 276. Total energy = 1966 kcal/mol (1963 without restraints) Performing minimization step: 277. Total energy = 1965 kcal/mol (1961 without restraints) Performing minimization step: 278. Total energy = 1963 kcal/mol (1960 without restraints) Performing minimization step: 279. Total energy = 1962 kcal/mol (1958 without restraints) Performing minimization step: 280. Total energy = 1960 kcal/mol (1957 without restraints) Performing minimization step: 281. Total energy = 1959 kcal/mol (1956 without restraints) Performing minimization step: 282. Total energy = 1958 kcal/mol (1954 without restraints) Performing minimization step: 283. Total energy = 1956 kcal/mol (1953 without restraints) Performing minimization step: 284. Total energy = 1955 kcal/mol (1952 without restraints) Performing minimization step: 285. Total energy = 1954 kcal/mol (1950 without restraints) Performing minimization step: 286. Total energy = 1952 kcal/mol (1949 without restraints) Performing minimization step: 287. Total energy = 1951 kcal/mol (1948 without restraints) Performing minimization step: 288. Total energy = 1950 kcal/mol (1946 without restraints) Performing minimization step: 289. Total energy = 1948 kcal/mol (1945 without restraints) Performing minimization step: 290. Total energy = 1947 kcal/mol (1944 without restraints) Performing minimization step: 291. Total energy = 1946 kcal/mol (1942 without restraints) Performing minimization step: 292. Total energy = 1945 kcal/mol (1941 without restraints) Performing minimization step: 293. Total energy = 1943 kcal/mol (1940 without restraints) Performing minimization step: 294. Total energy = 1942 kcal/mol (1939 without restraints) Performing minimization step: 295. Total energy = 1941 kcal/mol (1937 without restraints) Performing minimization step: 296. Total energy = 1939 kcal/mol (1936 without restraints) Performing minimization step: 297. Total energy = 1938 kcal/mol (1935 without restraints) Performing minimization step: 298. Total energy = 1937 kcal/mol (1933 without restraints) Performing minimization step: 299. Total energy = 1935 kcal/mol (1932 without restraints) Performing minimization step: 300. Total energy = 1934 kcal/mol (1931 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8df67750/tmp/pz44-3_refx/pz44-3_refx.pdb ...Done. Performing minimization step: 301. Total energy = 1933 kcal/mol (1930 without restraints) Performing minimization step: 302. Total energy = 1932 kcal/mol (1928 without restraints) Performing minimization step: 303. Total energy = 1930 kcal/mol (1927 without restraints) Performing minimization step: 304. Total energy = 1929 kcal/mol (1926 without restraints) Performing minimization step: 305. Total energy = 1928 kcal/mol (1925 without restraints) Performing minimization step: 306. Total energy = 1927 kcal/mol (1923 without restraints) Performing minimization step: 307. Total energy = 1925 kcal/mol (1922 without restraints) Performing minimization step: 308. Total energy = 1924 kcal/mol (1921 without restraints) Performing minimization step: 309. Total energy = 1923 kcal/mol (1920 without restraints) Performing minimization step: 310. Total energy = 1922 kcal/mol (1918 without restraints) Performing minimization step: 311. Total energy = 1920 kcal/mol (1917 without restraints) Performing minimization step: 312. Total energy = 1919 kcal/mol (1916 without restraints) Performing minimization step: 313. Total energy = 1918 kcal/mol (1915 without restraints) Performing minimization step: 314. Total energy = 1917 kcal/mol (1913 without restraints) Performing minimization step: 315. Total energy = 1916 kcal/mol (1912 without restraints) Performing minimization step: 316. Total energy = 1914 kcal/mol (1911 without restraints) Performing minimization step: 317. Total energy = 1913 kcal/mol (1910 without restraints) Performing minimization step: 318. Total energy = 1912 kcal/mol (1909 without restraints) Performing minimization step: 319. Total energy = 1911 kcal/mol (1907 without restraints) Performing minimization step: 320. Total energy = 1909 kcal/mol (1906 without restraints) Performing minimization step: 321. Total energy = 1908 kcal/mol (1905 without restraints) Performing minimization step: 322. Total energy = 1907 kcal/mol (1904 without restraints) Performing minimization step: 323. Total energy = 1906 kcal/mol (1903 without restraints) Performing minimization step: 324. Total energy = 1905 kcal/mol (1901 without restraints) Performing minimization step: 325. Total energy = 1903 kcal/mol (1900 without restraints) Performing minimization step: 326. Total energy = 1902 kcal/mol (1899 without restraints) Performing minimization step: 327. Total energy = 1901 kcal/mol (1898 without restraints) Performing minimization step: 328. Total energy = 1900 kcal/mol (1897 without restraints) Performing minimization step: 329. Total energy = 1899 kcal/mol (1895 without restraints) Performing minimization step: 330. Total energy = 1898 kcal/mol (1894 without restraints) Performing minimization step: 331. Total energy = 1896 kcal/mol (1893 without restraints) Performing minimization step: 332. Total energy = 1895 kcal/mol (1892 without restraints) Performing minimization step: 333. Total energy = 1894 kcal/mol (1891 without restraints) Performing minimization step: 334. Total energy = 1893 kcal/mol (1890 without restraints) Performing minimization step: 335. Total energy = 1892 kcal/mol (1888 without restraints) Performing minimization step: 336. Total energy = 1891 kcal/mol (1887 without restraints) Performing minimization step: 337. Total energy = 1889 kcal/mol (1886 without restraints) Performing minimization step: 338. Total energy = 1888 kcal/mol (1885 without restraints) Performing minimization step: 339. Total energy = 1887 kcal/mol (1884 without restraints) Performing minimization step: 340. Total energy = 1886 kcal/mol (1883 without restraints) Performing minimization step: 341. Total energy = 1885 kcal/mol (1882 without restraints) Performing minimization step: 342. Total energy = 1884 kcal/mol (1880 without restraints) Performing minimization step: 343. Total energy = 1883 kcal/mol (1879 without restraints) Performing minimization step: 344. Total energy = 1882 kcal/mol (1878 without restraints) Performing minimization step: 345. Total energy = 1880 kcal/mol (1877 without restraints) Performing minimization step: 346. Total energy = 1879 kcal/mol (1876 without restraints) Performing minimization step: 347. Total energy = 1878 kcal/mol (1875 without restraints) Performing minimization step: 348. Total energy = 1877 kcal/mol (1874 without restraints) Performing minimization step: 349. Total energy = 1876 kcal/mol (1873 without restraints) Performing minimization step: 350. Total energy = 1875 kcal/mol (1872 without restraints) Performing minimization step: 351. Total energy = 1874 kcal/mol (1870 without restraints) Performing minimization step: 352. Total energy = 1873 kcal/mol (1869 without restraints) Performing minimization step: 353. Total energy = 1872 kcal/mol (1868 without restraints) Performing minimization step: 354. Total energy = 1870 kcal/mol (1867 without restraints) Performing minimization step: 355. Total energy = 1869 kcal/mol (1866 without restraints) Performing minimization step: 356. Total energy = 1868 kcal/mol (1865 without restraints) Performing minimization step: 357. Total energy = 1867 kcal/mol (1864 without restraints) Performing minimization step: 358. Total energy = 1866 kcal/mol (1863 without restraints) Performing minimization step: 359. Total energy = 1865 kcal/mol (1862 without restraints) Performing minimization step: 360. Total energy = 1864 kcal/mol (1861 without restraints) Performing minimization step: 361. Total energy = 1863 kcal/mol (1860 without restraints) Performing minimization step: 362. Total energy = 1862 kcal/mol (1859 without restraints) Performing minimization step: 363. Total energy = 1861 kcal/mol (1857 without restraints) Performing minimization step: 364. Total energy = 1860 kcal/mol (1856 without restraints) Performing minimization step: 365. Total energy = 1859 kcal/mol (1855 without restraints) Performing minimization step: 366. Total energy = 1858 kcal/mol (1854 without restraints) Performing minimization step: 367. Total energy = 1856 kcal/mol (1853 without restraints) Performing minimization step: 368. Total energy = 1855 kcal/mol (1852 without restraints) Performing minimization step: 369. Total energy = 1854 kcal/mol (1851 without restraints) Performing minimization step: 370. Total energy = 1853 kcal/mol (1850 without restraints) Performing minimization step: 371. Total energy = 1852 kcal/mol (1849 without restraints) Performing minimization step: 372. Total energy = 1851 kcal/mol (1848 without restraints) Performing minimization step: 373. Total energy = 1850 kcal/mol (1847 without restraints) Performing minimization step: 374. Total energy = 1849 kcal/mol (1846 without restraints) Performing minimization step: 375. Total energy = 1848 kcal/mol (1845 without restraints) Performing minimization step: 376. Total energy = 1847 kcal/mol (1844 without restraints) Performing minimization step: 377. Total energy = 1846 kcal/mol (1843 without restraints) Performing minimization step: 378. Total energy = 1845 kcal/mol (1842 without restraints) Performing minimization step: 379. Total energy = 1844 kcal/mol (1841 without restraints) Performing minimization step: 380. Total energy = 1843 kcal/mol (1840 without restraints) Performing minimization step: 381. Total energy = 1842 kcal/mol (1839 without restraints) Performing minimization step: 382. Total energy = 1841 kcal/mol (1838 without restraints) Performing minimization step: 383. Total energy = 1840 kcal/mol (1837 without restraints) Performing minimization step: 384. Total energy = 1839 kcal/mol (1836 without restraints) Performing minimization step: 385. Total energy = 1838 kcal/mol (1835 without restraints) Performing minimization step: 386. Total energy = 1837 kcal/mol (1834 without restraints) Performing minimization step: 387. Total energy = 1836 kcal/mol (1833 without restraints) Performing minimization step: 388. Total energy = 1835 kcal/mol (1832 without restraints) Performing minimization step: 389. Total energy = 1834 kcal/mol (1831 without restraints) Performing minimization step: 390. Total energy = 1833 kcal/mol (1830 without restraints) Performing minimization step: 391. Total energy = 1832 kcal/mol (1829 without restraints) Performing minimization step: 392. Total energy = 1831 kcal/mol (1828 without restraints) Performing minimization step: 393. Total energy = 1830 kcal/mol (1827 without restraints) Performing minimization step: 394. Total energy = 1829 kcal/mol (1826 without restraints) Performing minimization step: 395. Total energy = 1828 kcal/mol (1825 without restraints) Performing minimization step: 396. Total energy = 1827 kcal/mol (1824 without restraints) Performing minimization step: 397. Total energy = 1826 kcal/mol (1823 without restraints) Performing minimization step: 398. Total energy = 1825 kcal/mol (1822 without restraints) Performing minimization step: 399. Total energy = 1824 kcal/mol (1821 without restraints) Performing minimization step: 400. Total energy = 1823 kcal/mol (1820 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8df67750/tmp/pz44-3_refx/pz44-3_refx.pdb ...Done. Performing minimization step: 401. Total energy = 1822 kcal/mol (1819 without restraints) Performing minimization step: 402. Total energy = 1821 kcal/mol (1818 without restraints) Performing minimization step: 403. Total energy = 1820 kcal/mol (1817 without restraints) Performing minimization step: 404. Total energy = 1819 kcal/mol (1816 without restraints) Performing minimization step: 405. Total energy = 1818 kcal/mol (1815 without restraints) Performing minimization step: 406. Total energy = 1817 kcal/mol (1814 without restraints) Performing minimization step: 407. Total energy = 1816 kcal/mol (1813 without restraints) Performing minimization step: 408. Total energy = 1815 kcal/mol (1812 without restraints) Performing minimization step: 409. Total energy = 1815 kcal/mol (1811 without restraints) Performing minimization step: 410. Total energy = 1814 kcal/mol (1810 without restraints) Performing minimization step: 411. Total energy = 1813 kcal/mol (1809 without restraints) Performing minimization step: 412. Total energy = 1812 kcal/mol (1809 without restraints) Performing minimization step: 413. Total energy = 1811 kcal/mol (1808 without restraints) Performing minimization step: 414. Total energy = 1810 kcal/mol (1807 without restraints) Performing minimization step: 415. Total energy = 1809 kcal/mol (1806 without restraints) Performing minimization step: 416. Total energy = 1808 kcal/mol (1805 without restraints) Performing minimization step: 417. Total energy = 1807 kcal/mol (1804 without restraints) Performing minimization step: 418. Total energy = 1806 kcal/mol (1803 without restraints) Performing minimization step: 419. Total energy = 1805 kcal/mol (1802 without restraints) Performing minimization step: 420. Total energy = 1804 kcal/mol (1801 without restraints) Performing minimization step: 421. Total energy = 1803 kcal/mol (1800 without restraints) Performing minimization step: 422. Total energy = 1802 kcal/mol (1799 without restraints) Performing minimization step: 423. Total energy = 1802 kcal/mol (1798 without restraints) Performing minimization step: 424. Total energy = 1801 kcal/mol (1798 without restraints) Performing minimization step: 425. Total energy = 1800 kcal/mol (1797 without restraints) Performing minimization step: 426. Total energy = 1799 kcal/mol (1796 without restraints) Performing minimization step: 427. Total energy = 1798 kcal/mol (1795 without restraints) Performing minimization step: 428. Total energy = 1797 kcal/mol (1794 without restraints) Performing minimization step: 429. Total energy = 1796 kcal/mol (1793 without restraints) Performing minimization step: 430. Total energy = 1795 kcal/mol (1792 without restraints) Performing minimization step: 431. Total energy = 1794 kcal/mol (1791 without restraints) Performing minimization step: 432. Total energy = 1793 kcal/mol (1790 without restraints) Performing minimization step: 433. Total energy = 1793 kcal/mol (1789 without restraints) Performing minimization step: 434. Total energy = 1792 kcal/mol (1789 without restraints) Performing minimization step: 435. Total energy = 1791 kcal/mol (1788 without restraints) Performing minimization step: 436. Total energy = 1790 kcal/mol (1787 without restraints) Performing minimization step: 437. Total energy = 1789 kcal/mol (1786 without restraints) Performing minimization step: 438. Total energy = 1788 kcal/mol (1785 without restraints) Performing minimization step: 439. Total energy = 1787 kcal/mol (1784 without restraints) Performing minimization step: 440. Total energy = 1786 kcal/mol (1783 without restraints) Performing minimization step: 441. Total energy = 1786 kcal/mol (1782 without restraints) Performing minimization step: 442. Total energy = 1785 kcal/mol (1782 without restraints) Performing minimization step: 443. Total energy = 1784 kcal/mol (1781 without restraints) Performing minimization step: 444. Total energy = 1783 kcal/mol (1780 without restraints) Performing minimization step: 445. Total energy = 1782 kcal/mol (1779 without restraints) Performing minimization step: 446. Total energy = 1781 kcal/mol (1778 without restraints) Performing minimization step: 447. Total energy = 1780 kcal/mol (1777 without restraints) Performing minimization step: 448. Total energy = 1780 kcal/mol (1776 without restraints) Performing minimization step: 449. Total energy = 1779 kcal/mol (1776 without restraints) Performing minimization step: 450. Total energy = 1778 kcal/mol (1775 without restraints) Performing minimization step: 451. Total energy = 1777 kcal/mol (1774 without restraints) Performing minimization step: 452. Total energy = 1776 kcal/mol (1773 without restraints) Performing minimization step: 453. Total energy = 1775 kcal/mol (1772 without restraints) Performing minimization step: 454. Total energy = 1775 kcal/mol (1771 without restraints) Performing minimization step: 455. Total energy = 1774 kcal/mol (1771 without restraints) Performing minimization step: 456. Total energy = 1773 kcal/mol (1770 without restraints) Performing minimization step: 457. Total energy = 1772 kcal/mol (1769 without restraints) Performing minimization step: 458. Total energy = 1771 kcal/mol (1768 without restraints) Performing minimization step: 459. Total energy = 1770 kcal/mol (1767 without restraints) Performing minimization step: 460. Total energy = 1770 kcal/mol (1766 without restraints) Performing minimization step: 461. Total energy = 1769 kcal/mol (1766 without restraints) Performing minimization step: 462. Total energy = 1768 kcal/mol (1765 without restraints) Performing minimization step: 463. Total energy = 1767 kcal/mol (1764 without restraints) Performing minimization step: 464. Total energy = 1766 kcal/mol (1763 without restraints) Performing minimization step: 465. Total energy = 1765 kcal/mol (1762 without restraints) Performing minimization step: 466. Total energy = 1765 kcal/mol (1762 without restraints) Performing minimization step: 467. Total energy = 1764 kcal/mol (1761 without restraints) Performing minimization step: 468. Total energy = 1763 kcal/mol (1760 without restraints) Performing minimization step: 469. Total energy = 1762 kcal/mol (1759 without restraints) Performing minimization step: 470. Total energy = 1761 kcal/mol (1758 without restraints) Performing minimization step: 471. Total energy = 1761 kcal/mol (1758 without restraints) Performing minimization step: 472. Total energy = 1760 kcal/mol (1757 without restraints) Performing minimization step: 473. Total energy = 1759 kcal/mol (1756 without restraints) Performing minimization step: 474. Total energy = 1758 kcal/mol (1755 without restraints) Performing minimization step: 475. Total energy = 1757 kcal/mol (1754 without restraints) Performing minimization step: 476. Total energy = 1757 kcal/mol (1754 without restraints) Performing minimization step: 477. Total energy = 1756 kcal/mol (1753 without restraints) Performing minimization step: 478. Total energy = 1755 kcal/mol (1752 without restraints) Performing minimization step: 479. Total energy = 1754 kcal/mol (1751 without restraints) Performing minimization step: 480. Total energy = 1753 kcal/mol (1750 without restraints) Performing minimization step: 481. Total energy = 1753 kcal/mol (1750 without restraints) Performing minimization step: 482. Total energy = 1752 kcal/mol (1749 without restraints) Performing minimization step: 483. Total energy = 1751 kcal/mol (1748 without restraints) Performing minimization step: 484. Total energy = 1750 kcal/mol (1747 without restraints) Performing minimization step: 485. Total energy = 1749 kcal/mol (1746 without restraints) Performing minimization step: 486. Total energy = 1749 kcal/mol (1746 without restraints) Performing minimization step: 487. Total energy = 1748 kcal/mol (1745 without restraints) Performing minimization step: 488. Total energy = 1747 kcal/mol (1744 without restraints) Performing minimization step: 489. Total energy = 1746 kcal/mol (1743 without restraints) Performing minimization step: 490. Total energy = 1746 kcal/mol (1743 without restraints) Performing minimization step: 491. Total energy = 1745 kcal/mol (1742 without restraints) Performing minimization step: 492. Total energy = 1744 kcal/mol (1741 without restraints) Performing minimization step: 493. Total energy = 1743 kcal/mol (1740 without restraints) Performing minimization step: 494. Total energy = 1743 kcal/mol (1740 without restraints) Performing minimization step: 495. Total energy = 1742 kcal/mol (1739 without restraints) Performing minimization step: 496. Total energy = 1741 kcal/mol (1738 without restraints) Performing minimization step: 497. Total energy = 1740 kcal/mol (1737 without restraints) Performing minimization step: 498. Total energy = 1740 kcal/mol (1737 without restraints) Performing minimization step: 499. Total energy = 1739 kcal/mol (1736 without restraints) Performing minimization step: 500. Total energy = 1738 kcal/mol (1735 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8df67750/tmp/pz44-3_refx/pz44-3_refx.pdb ...Done. Performing minimization step: 501. Total energy = 1737 kcal/mol (1734 without restraints) Performing minimization step: 502. Total energy = 1737 kcal/mol (1734 without restraints) Performing minimization step: 503. Total energy = 1736 kcal/mol (1733 without restraints) Performing minimization step: 504. Total energy = 1735 kcal/mol (1732 without restraints) Performing minimization step: 505. Total energy = 1734 kcal/mol (1731 without restraints) Performing minimization step: 506. Total energy = 1734 kcal/mol (1731 without restraints) Performing minimization step: 507. Total energy = 1733 kcal/mol (1730 without restraints) Performing minimization step: 508. Total energy = 1732 kcal/mol (1729 without restraints) Performing minimization step: 509. Total energy = 1731 kcal/mol (1728 without restraints) Performing minimization step: 510. Total energy = 1731 kcal/mol (1728 without restraints) Performing minimization step: 511. Total energy = 1730 kcal/mol (1727 without restraints) Performing minimization step: 512. Total energy = 1729 kcal/mol (1726 without restraints) Performing minimization step: 513. Total energy = 1729 kcal/mol (1726 without restraints) Performing minimization step: 514. Total energy = 1728 kcal/mol (1725 without restraints) Performing minimization step: 515. Total energy = 1727 kcal/mol (1724 without restraints) Performing minimization step: 516. Total energy = 1726 kcal/mol (1723 without restraints) Performing minimization step: 517. Total energy = 1726 kcal/mol (1723 without restraints) Performing minimization step: 518. Total energy = 1725 kcal/mol (1722 without restraints) Performing minimization step: 519. Total energy = 1724 kcal/mol (1721 without restraints) Performing minimization step: 520. Total energy = 1724 kcal/mol (1721 without restraints) Performing minimization step: 521. Total energy = 1723 kcal/mol (1720 without restraints) Performing minimization step: 522. Total energy = 1722 kcal/mol (1719 without restraints) Performing minimization step: 523. Total energy = 1721 kcal/mol (1718 without restraints) Performing minimization step: 524. Total energy = 1721 kcal/mol (1718 without restraints) Performing minimization step: 525. Total energy = 1720 kcal/mol (1717 without restraints) Performing minimization step: 526. Total energy = 1719 kcal/mol (1716 without restraints) Performing minimization step: 527. Total energy = 1719 kcal/mol (1716 without restraints) Performing minimization step: 528. Total energy = 1718 kcal/mol (1715 without restraints) Performing minimization step: 529. Total energy = 1717 kcal/mol (1714 without restraints) Performing minimization step: 530. Total energy = 1716 kcal/mol (1714 without restraints) Performing minimization step: 531. Total energy = 1716 kcal/mol (1713 without restraints) Performing minimization step: 532. Total energy = 1715 kcal/mol (1712 without restraints) Performing minimization step: 533. Total energy = 1714 kcal/mol (1711 without restraints) Performing minimization step: 534. Total energy = 1714 kcal/mol (1711 without restraints) Performing minimization step: 535. Total energy = 1713 kcal/mol (1710 without restraints) Performing minimization step: 536. Total energy = 1712 kcal/mol (1709 without restraints) Performing minimization step: 537. Total energy = 1712 kcal/mol (1709 without restraints) Performing minimization step: 538. Total energy = 1711 kcal/mol (1708 without restraints) Performing minimization step: 539. Total energy = 1710 kcal/mol (1707 without restraints) Performing minimization step: 540. Total energy = 1710 kcal/mol (1707 without restraints) Performing minimization step: 541. Total energy = 1709 kcal/mol (1706 without restraints) Performing minimization step: 542. Total energy = 1708 kcal/mol (1705 without restraints) Performing minimization step: 543. Total energy = 1708 kcal/mol (1705 without restraints) Performing minimization step: 544. Total energy = 1707 kcal/mol (1704 without restraints) Performing minimization step: 545. Total energy = 1706 kcal/mol (1703 without restraints) Performing minimization step: 546. Total energy = 1706 kcal/mol (1703 without restraints) Performing minimization step: 547. Total energy = 1705 kcal/mol (1702 without restraints) Performing minimization step: 548. Total energy = 1704 kcal/mol (1701 without restraints) Performing minimization step: 549. Total energy = 1704 kcal/mol (1701 without restraints) Performing minimization step: 550. Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to pz44-3_refx.pdb DONE!