Friday, September 20 2024 07:33:26
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STOP ********** Program terminated normally. T 1128616736 347 T 1128616736 358 T 1128616736 359 T 1128616736 361 T 1128616736 366 T 1128616736 372 T 1128616736 382 T 1128616736 383 T 1128616736 384 T 1128616736 394 T 1128616736 396 T 1128616736 399 T 1128616736 402 T 1128616736 408 T 1128616736 409 T 1128616736 416 T 1128616736 420 T 1128616736 421 T 1128616736 422 T 1128616736 430 T 1128616736 433 T 1128616736 458 T 1128616736 465 T 1128616736 468 T 1128616736 470 T 1128616736 472 T 1128616736 473 T 1128616736 480 T 1128616736 482 T 1128616736 486 T 1128616736 488 T 1128616736 490 T 1128616736 491 T 1128616736 495 T 1128616736 496 T 1128616736 503 T 1128616736 504 T 1128616736 505 T 1128616736 508 T 1128616736 516 T 1128616736 518 T 1128616736 520 T 1128616736 525 T 1128616736 527 T 1128616736 528 T 1128616736 532 T 1128616736 536 T 1128616736 541 T 1128616736 556 T 1128616736 565 T 1128616736 569 T 1128616736 571 T 1128616736 3 T 1128616736 4 T 1128616736 7 T 1128616736 8 T 1128616736 13 T 1128616736 63 T 1128616736 75 T 1128616736 89 T 1128616736 93 T 1128616736 94 T 1128616736 96 T 1128616736 130 T 1128616736 131 T 1128616736 155 T 1128616736 160 T 1128616736 164 T 1128616736 177 T 1128616736 232 T 1128616736 238 T 1128616736 242 T 1128616736 248 T 1128616736 249 T 1128616736 301 T 1128616736 308 T 1128616736 312 T 1128616736 323 T 1128616736 331 T 1128616736 349 T 1128616736 350 T 1128616736 363 T 1128616736 364 T 1128616736 375 T 1128616736 379 T 1128616736 385 T 1128616736 391 T 1128616736 395 T 1128616736 404 T 1128616736 411 T 1128616736 424 T 1128616736 425 T 1128616736 426 T 1128616736 427 T 1128616736 439 T 1128616736 446 T 1128616736 450 T 1128616736 452 T 1128616736 453 T 1128616736 462 T 1128616736 477 T 1128616736 479 T 1128616736 484 T 1128616736 485 T 1128616736 489 T 1128616736 493 T 1128616736 500 T 1128616736 501 T 1128616736 513 T 1128616736 515 T 1128616736 517 T 1128616736 530 T 1128616736 535 T 1128616736 545 T 1128616736 547 T 1128616736 553 T 1128616736 559 T 1128616736 560 T 1128616736 567 T 1128616736 570 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -3.65540E+00 AVE RMSD 3.31 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY -1.20358E+00 RMS 3.55 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -3.50455E+00 AVE RMSD 2.71 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY -1.19195E+00 RMS 2.78 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -3.40308E+00 AVE RMSD 3.24 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY -1.18961E+00 RMS 3.08 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.35113E+00 AVE RMSD 2.85 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY -1.20366E+00 RMS 3.03 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -2.98650E+00 AVE RMSD 5.18 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY -1.20178E+00 RMS 4.47
