Monday, September 23 2024 19:14:39
UNRES
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CTEST_FULL_OUTPUT JESTEM T -1036256144 1 T -1036256144 5 T -1036256144 8 T -1036256144 10 T -1036256144 11 T -1036256144 12 T -1036256144 15 T -1036256144 16 T -1036256144 19 T -1036256144 20 T -1036256144 22 T -1036256144 23 T -1036256144 24 T -1036256144 26 T -1036256144 27 T -1036256144 28 T -1036256144 30 T -1036256144 34 T -1036256144 35 T -1036256144 36 T -1036256144 39 T -1036256144 41 T -1036256144 44 T -1036256144 45 T -1036256144 52 T -1036256144 60 T -1036256144 62 T -1036256144 68 T -1036256144 73 T -1036256144 74 T -1036256144 75 T -1036256144 76 T -1036256144 77 T -1036256144 83 T -1036256144 87 T -1036256144 91 T -1036256144 97 T -1036256144 98 T -1036256144 104 T -1036256144 110 T -1036256144 111 T -1036256144 113 T -1036256144 114 T -1036256144 115 T -1036256144 117 T -1036256144 121 T -1036256144 124 T -1036256144 128 T -1036256144 129 T -1036256144 134 T -1036256144 137 T -1036256144 138 T -1036256144 141 T -1036256144 146 T -1036256144 147 T -1036256144 151 T 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309 T -1036256144 310 T -1036256144 320 T -1036256144 328 T -1036256144 334 T -1036256144 335 T -1036256144 339 T -1036256144 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1036256144 342 T -1036256144 348 T -1036256144 354 T -1036256144 360 T -1036256144 365 T -1036256144 367 T -1036256144 372 T -1036256144 381 T -1036256144 383 T -1036256144 384 T -1036256144 392 T -1036256144 396 T -1036256144 397 T -1036256144 401 T -1036256144 408 T -1036256144 411 T -1036256144 417 T -1036256144 418 T -1036256144 421 T -1036256144 422 T -1036256144 430 T -1036256144 435 T -1036256144 458 T -1036256144 465 T -1036256144 468 T -1036256144 470 T -1036256144 472 T -1036256144 474 T -1036256144 480 T -1036256144 482 T -1036256144 483 T -1036256144 488 T -1036256144 490 T -1036256144 491 T -1036256144 494 T -1036256144 496 T -1036256144 501 T -1036256144 502 T -1036256144 504 T -1036256144 508 T -1036256144 516 T -1036256144 518 T -1036256144 520 T -1036256144 525 T -1036256144 527 T -1036256144 529 T -1036256144 532 T -1036256144 535 T -1036256144 543 T -1036256144 555 T -1036256144 565 T -1036256144 569 T -1036256144 570 T -1036256144 25 T -1036256144 32 T -1036256144 42 T -1036256144 46 T -1036256144 63 T -1036256144 80 T -1036256144 88 T -1036256144 103 T -1036256144 105 T -1036256144 106 T -1036256144 108 T -1036256144 139 T -1036256144 144 T -1036256144 163 T -1036256144 170 T -1036256144 174 T -1036256144 185 T -1036256144 239 T -1036256144 244 T -1036256144 247 T -1036256144 249 T -1036256144 254 T -1036256144 306 T -1036256144 313 T -1036256144 317 T -1036256144 326 T -1036256144 332 T -1036256144 351 T -1036256144 352 T -1036256144 361 T -1036256144 364 T -1036256144 376 T -1036256144 382 T -1036256144 390 T -1036256144 393 T -1036256144 399 T -1036256144 407 T -1036256144 414 T -1036256144 425 T -1036256144 426 T -1036256144 427 T -1036256144 431 T -1036256144 438 T -1036256144 450 T -1036256144 451 T -1036256144 454 T -1036256144 455 T -1036256144 466 T -1036256144 481 T -1036256144 484 T -1036256144 485 T -1036256144 486 T -1036256144 493 T -1036256144 495 T -1036256144 503 T -1036256144 505 T -1036256144 514 T -1036256144 515 T -1036256144 522 T -1036256144 531 T -1036256144 536 T -1036256144 547 T -1036256144 549 T -1036256144 557 T -1036256144 561 T -1036256144 562 T -1036256144 567 T -1036256144 574 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -3.63351E+00 AVE RMSD 3.31 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY -1.18055E+00 RMS 2.81 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -3.49023E+00 AVE RMSD 2.71 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY -1.17937E+00 RMS 2.35 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -3.39328E+00 AVE RMSD 3.24 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY -1.17917E+00 RMS 3.08 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.33458E+00 AVE RMSD 2.85 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY -1.17823E+00 RMS 3.03 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -2.95461E+00 AVE RMSD 5.18 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY -1.17076E+00 RMS 4.94
