Execution Time0.84s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI-DFA E0LL2Y (dell15) on 2020-04-10 03:46:12
Repository revision: fb796f6ccc7879c3ae3d07e87499aaa430469deb


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Test output
CTEST_FULL_OUTPUT
 JESTEM
 T  -955190176           1
 T  -955190176           5
 T  -955190176           8
 T  -955190176          10
 T  -955190176          11
 T  -955190176          12
 T  -955190176          15
 T  -955190176          16
 T  -955190176          19
 T  -955190176          20
 T  -955190176          22
 T  -955190176          23
 T  -955190176          24
 T  -955190176          26
 T  -955190176          27
 T  -955190176          28
 T  -955190176          30
 T  -955190176          34
 T  -955190176          35
 T  -955190176          36
 T  -955190176          39
 T  -955190176          41
 T  -955190176          44
 T  -955190176          45
 T  -955190176          52
 T  -955190176          60
 T  -955190176          62
 T  -955190176          68
 T  -955190176          73
 T  -955190176          74
 T  -955190176          75
 T  -955190176          76
 T  -955190176          77
 T  -955190176          83
 T  -955190176          87
 T  -955190176          91
 T  -955190176          97
 T  -955190176          98
 T  -955190176         104
 T  -955190176         110
 T  -955190176         111
 T  -955190176         113
 T  -955190176         114
 T  -955190176         115
 T  -955190176         117
 T  -955190176         121
 T  -955190176         124
 T  -955190176         128
 T  -955190176         129
 T  -955190176         134
 T  -955190176         137
 T  -955190176         138
 T  -955190176         141
 T  -955190176         146
 T  -955190176         147
 T  -955190176         151
 T  -955190176         155
 T  -955190176         161
 T  -955190176         164
 T  -955190176         175
 T  -955190176         177
 T  -955190176         178
 T  -955190176         183
 T  -955190176         186
 T  -955190176         193
 T  -955190176         196
 T  -955190176         205
 T  -955190176         211
 T  -955190176         216
 T  -955190176         219
 T  -955190176         220
 T  -955190176         221
 T  -955190176         226
 T  -955190176         229
 T  -955190176         231
 T  -955190176         234
 T  -955190176         238
 T  -955190176         250
 T  -955190176         252
 T  -955190176         257
 T  -955190176         259
 T  -955190176         261
 T  -955190176         265
 T  -955190176         269
 T  -955190176         271
 T  -955190176         277
 T  -955190176         278
 T  -955190176         283
 T  -955190176         291
 T  -955190176         294
 T  -955190176         298
 T  -955190176         299
 T  -955190176         303
 T  -955190176         307
 T  -955190176         312
 T  -955190176         316
 T  -955190176         318
 T  -955190176         319
 T  -955190176         323
 T  -955190176         327
 T  -955190176         331
 T  -955190176         338
 T  -955190176         344
 T  -955190176         346
 T  -955190176         347
 T  -955190176         353
 T  -955190176         355
 T  -955190176         356
 T  -955190176         358
 T  -955190176         359
 T  -955190176         362
 T  -955190176         373
 T  -955190176         374
 T  -955190176         378
 T  -955190176         386
 T  -955190176         389
 T  -955190176         394
 T  -955190176         405
 T  -955190176         413
 T  -955190176         416
 T  -955190176         420
 T  -955190176         429
 T  -955190176         439
 T  -955190176         440
 T  -955190176         441
 T  -955190176         447
 T  -955190176         448
 T  -955190176         453
 T  -955190176         478
 T  -955190176         479
 T  -955190176         489
 T  -955190176         499
 T  -955190176         510
 T  -955190176         513
 T  -955190176         537
 T  -955190176         538
 T  -955190176         544
 T  -955190176         545
 T  -955190176         552
 T  -955190176         554
 T  -955190176         560
 T  -955190176         563
 T  -955190176         571
 T  -955190176           2
 T  -955190176           6
 T  -955190176           9
 T  -955190176          17
 T  -955190176          29
 T  -955190176          31
 T  -955190176          40
 T  -955190176          47
 T  -955190176          49
 T  -955190176          55
 T  -955190176          57
 T  -955190176          66
 T  -955190176          70
 T  -955190176          81
 T  -955190176          82
 T  -955190176          84
 T  -955190176          89
 T  -955190176          90
 T  -955190176          92
 T  -955190176          93
 T  -955190176          94
 T  -955190176         100
 T  -955190176         101
 T  -955190176         107
 T  -955190176         118
 T  -955190176         119
 T  -955190176         120
 T  -955190176         123
 T  -955190176         125
 T  -955190176         131
 T  -955190176         132
 T  -955190176         133
 T  -955190176         143
 T  -955190176         145
 T  -955190176         150
 T  -955190176         152
 T  -955190176         153
 T  -955190176         159
 T  -955190176         162
 T  -955190176         166
 T  -955190176         172
 T  -955190176         173
 T  -955190176         180
 T  -955190176         182
 T  -955190176         191
 T  -955190176         194
 T  -955190176         203
 T  -955190176         204
 T  -955190176         207
 T  -955190176         210
 T  -955190176         213
 T  -955190176         222
 T  -955190176         228
 T  -955190176         232
 T  -955190176         235
 T  -955190176         240
 T  -955190176         241
 T  -955190176         246
 T  -955190176         251
 T  -955190176         256
 T  -955190176         258
 T  -955190176         262
 T  -955190176         270
 T  -955190176         272
 T  -955190176         273
 T  -955190176         275
 T  -955190176         279
 T  -955190176         281
 T  -955190176         284
 T  -955190176         285
 T  -955190176         286
 T  -955190176         288
 T  -955190176         290
 T  -955190176         296
 T  -955190176         301
 T  -955190176         305
 T  -955190176         308
 T  -955190176         315
 T  -955190176         321
 T  -955190176         324
 T  -955190176         325
 T  -955190176         330
 T  -955190176         333
 T  -955190176         336
 T  -955190176         337
 T  -955190176         350
 T  -955190176         369
 T  -955190176         370
 T  -955190176         377
 T  -955190176         379
 T  -955190176         380
 T  -955190176         387
 T  -955190176         388
 T  -955190176         395
 T  -955190176         398
 T  -955190176         403
 T  -955190176         419
 T  -955190176         423
 T  -955190176         428
 T  -955190176         436
 T  -955190176         445
 T  -955190176         452
 T  -955190176         456
 T  -955190176         457
 T  -955190176         459
 T  -955190176         461
 T  -955190176         462
 T  -955190176         463
 T  -955190176         464
 T  -955190176         467
 T  -955190176         471
 T  -955190176         475
 T  -955190176         476
 T  -955190176         497
 T  -955190176         498
 T  -955190176         500
 T  -955190176         506
 T  -955190176         507
 T  -955190176         511
 T  -955190176         521
 T  -955190176         530
 T  -955190176         534
 T  -955190176         539
 T  -955190176         550
 T  -955190176         551
 T  -955190176         559
 T  -955190176         568
 T  -955190176         575
 T  -955190176           3
 T  -955190176          21
 T  -955190176          33
 T  -955190176          43
 T  -955190176          51
 T  -955190176          54
 T  -955190176          58
 T  -955190176          64
 T  -955190176          67
 T  -955190176          69
 T  -955190176          71
 T  -955190176          79
 T  -955190176          85
 T  -955190176          96
 T  -955190176          99
 T  -955190176         102
 T  -955190176         122
 T  -955190176         126
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 T  -955190176         140
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 T  -955190176         154
 T  -955190176         165
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 T  -955190176         176
 T  -955190176         179
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 T  -955190176         192
 T  -955190176         197
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 T  -955190176         199
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 T  -955190176         206
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 T  -955190176         223
 T  -955190176         227
 T  -955190176         233
 T  -955190176         236
 T  -955190176         242
 T  -955190176         243
 T  -955190176         245
 T  -955190176         260
 T  -955190176         267
 T  -955190176         268
 T  -955190176         276
 T  -955190176         280
 T  -955190176         289
 T  -955190176         292
 T  -955190176         297
 T  -955190176         300
 T  -955190176         302
 T  -955190176         311
 T  -955190176         314
 T  -955190176         322
 T  -955190176         329
 T  -955190176         341
 T  -955190176         343
 T  -955190176         345
 T  -955190176         349
 T  -955190176         357
 T  -955190176         363
 T  -955190176         366
 T  -955190176         368
 T  -955190176         371
 T  -955190176         375
 T  -955190176         385
 T  -955190176         391
 T  -955190176         400
 T  -955190176         402
 T  -955190176         404
 T  -955190176         406
 T  -955190176         409
 T  -955190176         410
 T  -955190176         412
 T  -955190176         415
 T  -955190176         424
 T  -955190176         432
 T  -955190176         433
 T  -955190176         434
 T  -955190176         437
 T  -955190176         442
 T  -955190176         443
 T  -955190176         444
 T  -955190176         446
 T  -955190176         449
 T  -955190176         460
 T  -955190176         469
 T  -955190176         473
 T  -955190176         477
 T  -955190176         487
 T  -955190176         492
 T  -955190176         509
 T  -955190176         512
 T  -955190176         517
 T  -955190176         519
 T  -955190176         523
 T  -955190176         524
 T  -955190176         526
 T  -955190176         528
 T  -955190176         533
 T  -955190176         540
 T  -955190176         541
 T  -955190176         542
 T  -955190176         546
 T  -955190176         548
 T  -955190176         553
 T  -955190176         556
 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
 T  -955190176          50
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 T  -955190176          56
 T  -955190176          59
 T  -955190176          61
 T  -955190176          65
 T  -955190176          72
 T  -955190176          78
 T  -955190176          86
 T  -955190176          95
 T  -955190176         109
 T  -955190176         112
 T  -955190176         116
 T  -955190176         136
 T  -955190176         156
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 T  -955190176         169
 T  -955190176         184
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 T  -955190176         263
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 T  -955190176         274
 T  -955190176         282
 T  -955190176         287
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 T  -955190176         328
 T  -955190176         334
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 T  -955190176         339
 T  -955190176         340
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T  -955190176         342
 T  -955190176         348
 T  -955190176         354
 T  -955190176         360
 T  -955190176         365
 T  -955190176         367
 T  -955190176         372
 T  -955190176         381
 T  -955190176         383
 T  -955190176         384
 T  -955190176         392
 T  -955190176         396
 T  -955190176         397
 T  -955190176         401
 T  -955190176         408
 T  -955190176         411
 T  -955190176         417
 T  -955190176         418
 T  -955190176         421
 T  -955190176         422
 T  -955190176         430
 T  -955190176         435
 T  -955190176         458
 T  -955190176         465
 T  -955190176         468
 T  -955190176         470
 T  -955190176         472
 T  -955190176         474
 T  -955190176         480
 T  -955190176         482
 T  -955190176         483
 T  -955190176         488
 T  -955190176         490
 T  -955190176         491
 T  -955190176         494
 T  -955190176         496
 T  -955190176         501
 T  -955190176         502
 T  -955190176         504
 T  -955190176         508
 T  -955190176         516
 T  -955190176         518
 T  -955190176         520
 T  -955190176         525
 T  -955190176         527
 T  -955190176         529
 T  -955190176         532
 T  -955190176         535
 T  -955190176         543
 T  -955190176         555
 T  -955190176         565
 T  -955190176         569
 T  -955190176         570
 T  -955190176          25
 T  -955190176          32
 T  -955190176          42
 T  -955190176          46
 T  -955190176          63
 T  -955190176          80
 T  -955190176          88
 T  -955190176         103
 T  -955190176         105
 T  -955190176         106
 T  -955190176         108
 T  -955190176         139
 T  -955190176         144
 T  -955190176         163
 T  -955190176         170
 T  -955190176         174
 T  -955190176         185
 T  -955190176         239
 T  -955190176         244
 T  -955190176         247
 T  -955190176         249
 T  -955190176         254
 T  -955190176         306
 T  -955190176         313
 T  -955190176         317
 T  -955190176         326
 T  -955190176         332
 T  -955190176         351
 T  -955190176         352
 T  -955190176         361
 T  -955190176         364
 T  -955190176         376
 T  -955190176         382
 T  -955190176         390
 T  -955190176         393
 T  -955190176         399
 T  -955190176         407
 T  -955190176         414
 T  -955190176         425
 T  -955190176         426
 T  -955190176         427
 T  -955190176         431
 T  -955190176         438
 T  -955190176         450
 T  -955190176         451
 T  -955190176         454
 T  -955190176         455
 T  -955190176         466
 T  -955190176         481
 T  -955190176         484
 T  -955190176         485
 T  -955190176         486
 T  -955190176         493
 T  -955190176         495
 T  -955190176         503
 T  -955190176         505
 T  -955190176         514
 T  -955190176         515
 T  -955190176         522
 T  -955190176         531
 T  -955190176         536
 T  -955190176         547
 T  -955190176         549
 T  -955190176         557
 T  -955190176         561
 T  -955190176         562
 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