Tuesday, September 17 2024 20:40:53
UNRES
1.90s
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STOP ********** Program terminated normally. T 1516142592 451 T 1516142592 453 T 1516142592 456 T 1516142592 467 T 1516142592 472 T 1516142592 473 T 1516142592 476 T 1516142592 478 T 1516142592 484 T 1516142592 485 T 1516142592 489 T 1516142592 493 T 1516142592 495 T 1516142592 497 T 1516142592 498 T 1516142592 501 T 1516142592 503 T 1516142592 506 T 1516142592 510 T 1516142592 512 T 1516142592 517 T 1516142592 518 T 1516142592 521 T 1516142592 528 T 1516142592 529 T 1516142592 534 T 1516142592 536 T 1516142592 538 T 1516142592 541 T 1516142592 30 T 1516142592 54 T 1516142592 75 T 1516142592 87 T 1516142592 122 T 1516142592 132 T 1516142592 137 T 1516142592 152 T 1516142592 179 T 1516142592 188 T 1516142592 196 T 1516142592 203 T 1516142592 205 T 1516142592 218 T 1516142592 246 T 1516142592 250 T 1516142592 265 T 1516142592 269 T 1516142592 271 T 1516142592 309 T 1516142592 331 T 1516142592 333 T 1516142592 342 T 1516142592 353 T 1516142592 357 T 1516142592 360 T 1516142592 374 T 1516142592 388 T 1516142592 401 T 1516142592 404 T 1516142592 412 T 1516142592 417 T 1516142592 437 T 1516142592 439 T 1516142592 450 T 1516142592 457 T 1516142592 462 T 1516142592 463 T 1516142592 465 T 1516142592 471 T 1516142592 474 T 1516142592 475 T 1516142592 480 T 1516142592 481 T 1516142592 502 T 1516142592 507 T 1516142592 508 T 1516142592 509 T 1516142592 511 T 1516142592 513 T 1516142592 514 T 1516142592 519 T 1516142592 522 T 1516142592 524 T 1516142592 526 T 1516142592 531 T 1516142592 532 T 1516142592 535 T 1516142592 543 THERE ARE 5 FAMILIES OF CONFORMATIONS wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.49698E+02 AVE RMSD 9.52 wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47785E+02 RMS 9.24 wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.49670E+02 AVE RMSD10.16 wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47760E+02 RMS 9.97 wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.49302E+02 AVE RMSD 9.55 wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47785E+02 RMS 9.23 wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.49020E+02 AVE RMSD11.28 wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47523E+02 RMS 11.02 wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.48758E+02 AVE RMSD 8.98 wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47356E+02 RMS 8.84
