CTEST_FULL_OUTPUT
JESTEM
T -955190176 1
T -955190176 5
T -955190176 8
T -955190176 10
T -955190176 11
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T -955190176 15
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T -955190176 386
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T -955190176 405
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T -955190176 563
T -955190176 571
T -955190176 2
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T -955190176 436
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T -955190176 575
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T -955190176 357
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T -955190176 385
T -955190176 391
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T -955190176 449
T -955190176 460
T -955190176 469
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T -955190176 487
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T -955190176 528
T -955190176 533
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T -955190176 558
T -955190176 564
T -955190176 566
T -955190176 572
T -955190176 573
T -955190176 4
T -955190176 7
T -955190176 13
T -955190176 14
T -955190176 18
T -955190176 37
T -955190176 38
T -955190176 48
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T -955190176 61
T -955190176 65
T -955190176 72
T -955190176 78
T -955190176 86
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T -955190176 109
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T -955190176 116
T -955190176 136
T -955190176 156
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T -955190176 160
T -955190176 169
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T -955190176 190
T -955190176 195
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T -955190176 340
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
T -955190176 342
T -955190176 348
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T -955190176 458
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T -955190176 480
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T -955190176 569
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T -955190176 25
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T -955190176 46
T -955190176 63
T -955190176 80
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T -955190176 531
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T -955190176 567
T -955190176 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