CTEST_FULL_OUTPUT
JESTEM
T 105 1
T 105 5
T 105 8
T 105 10
T 105 11
T 105 12
T 105 15
T 105 16
T 105 19
T 105 20
T 105 22
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T 105 60
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T 105 68
T 105 73
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T 105 91
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T 105 141
T 105 146
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T 105 161
T 105 164
T 105 175
T 105 177
T 105 178
T 105 183
T 105 186
T 105 193
T 105 196
T 105 205
T 105 211
T 105 216
T 105 219
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T 105 229
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T 105 238
T 105 250
T 105 252
T 105 257
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T 105 265
T 105 269
T 105 271
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T 105 283
T 105 291
T 105 294
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T 105 303
T 105 307
T 105 312
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T 105 327
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T 105 344
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T 105 378
T 105 386
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T 105 394
T 105 405
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T 105 453
T 105 478
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T 105 499
T 105 510
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T 105 537
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T 105 544
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T 105 552
T 105 554
T 105 560
T 105 563
T 105 571
T 105 2
T 105 6
T 105 9
T 105 17
T 105 29
T 105 31
T 105 40
T 105 47
T 105 49
T 105 55
T 105 57
T 105 66
T 105 70
T 105 81
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T 105 84
T 105 89
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T 105 100
T 105 101
T 105 107
T 105 118
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T 105 172
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T 105 296
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T 105 369
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T 105 377
T 105 379
T 105 380
T 105 387
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T 105 395
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T 105 403
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T 105 428
T 105 436
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T 105 467
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T 105 497
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T 105 530
T 105 534
T 105 539
T 105 550
T 105 551
T 105 559
T 105 568
T 105 575
T 105 3
T 105 21
T 105 33
T 105 43
T 105 51
T 105 54
T 105 58
T 105 64
T 105 67
T 105 69
T 105 71
T 105 79
T 105 85
T 105 96
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T 105 122
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T 105 154
T 105 165
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T 105 192
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T 105 391
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T 105 477
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T 105 509
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T 105 528
T 105 533
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T 105 546
T 105 548
T 105 553
T 105 556
T 105 558
T 105 564
T 105 566
T 105 572
T 105 573
T 105 4
T 105 7
T 105 13
T 105 14
T 105 18
T 105 37
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T 105 48
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T 105 53
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T 105 169
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T 105 282
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T 105 304
T 105 309
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T 105 328
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T 105 339
T 105 340
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
T 105 342
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T 105 480
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T 105 565
T 105 569
T 105 570
T 105 25
T 105 32
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T 105 63
T 105 80
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T 105 103
T 105 105
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T 105 139
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T 105 163
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T 105 174
T 105 185
T 105 239
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T 105 376
T 105 382
T 105 390
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T 105 466
T 105 481
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T 105 514
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T 105 531
T 105 536
T 105 547
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T 105 557
T 105 561
T 105 562
T 105 567
T 105 574
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
0.90s
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