CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -1 arg vs 42 in file JESTEM
T 65 1
T 65 5
T 65 8
T 65 10
T 65 11
T 65 12
T 65 15
T 65 16
T 65 19
T 65 20
T 65 22
T 65 23
T 65 24
T 65 26
T 65 27
T 65 28
T 65 30
T 65 34
T 65 35
T 65 36
T 65 39
T 65 41
T 65 44
T 65 45
T 65 52
T 65 60
T 65 62
T 65 68
T 65 73
T 65 74
T 65 75
T 65 76
T 65 77
T 65 83
T 65 87
T 65 91
T 65 97
T 65 98
T 65 104
T 65 110
T 65 111
T 65 113
T 65 114
T 65 115
T 65 117
T 65 121
T 65 124
T 65 128
T 65 129
T 65 134
T 65 137
T 65 138
T 65 141
T 65 146
T 65 147
T 65 151
T 65 155
T 65 161
T 65 164
T 65 175
T 65 177
T 65 178
T 65 183
T 65 186
T 65 193
T 65 196
T 65 205
T 65 211
T 65 216
T 65 219
T 65 220
T 65 221
T 65 226
T 65 229
T 65 231
T 65 234
T 65 238
T 65 250
T 65 252
T 65 257
T 65 259
T 65 261
T 65 265
T 65 269
T 65 271
T 65 277
T 65 278
T 65 283
T 65 291
T 65 294
T 65 298
T 65 299
T 65 303
T 65 307
T 65 312
T 65 316
T 65 318
T 65 319
T 65 323
T 65 327
T 65 331
T 65 338
T 65 344
T 65 346
T 65 347
T 65 353
T 65 355
T 65 356
T 65 358
T 65 359
T 65 362
T 65 373
T 65 374
T 65 378
T 65 386
T 65 389
T 65 394
T 65 405
T 65 413
T 65 416
T 65 420
T 65 429
T 65 439
T 65 440
T 65 441
T 65 447
T 65 448
T 65 453
T 65 478
T 65 479
T 65 489
T 65 499
T 65 510
T 65 513
T 65 537
T 65 538
T 65 544
T 65 545
T 65 552
T 65 554
T 65 560
T 65 563
T 65 571
T 65 2
T 65 6
T 65 9
T 65 17
T 65 29
T 65 31
T 65 40
T 65 47
T 65 49
T 65 55
T 65 57
T 65 66
T 65 70
T 65 81
T 65 82
T 65 84
T 65 89
T 65 90
T 65 92
T 65 93
T 65 94
T 65 100
T 65 101
T 65 107
T 65 118
T 65 119
T 65 120
T 65 123
T 65 125
T 65 131
T 65 132
T 65 133
T 65 143
T 65 145
T 65 150
T 65 152
T 65 153
T 65 159
T 65 162
T 65 166
T 65 172
T 65 173
T 65 180
T 65 182
T 65 191
T 65 194
T 65 203
T 65 204
T 65 207
T 65 210
T 65 213
T 65 222
T 65 228
T 65 232
T 65 235
T 65 240
T 65 241
T 65 246
T 65 251
T 65 256
T 65 258
T 65 262
T 65 270
T 65 272
T 65 273
T 65 275
T 65 279
T 65 281
T 65 284
T 65 285
T 65 286
T 65 288
T 65 290
T 65 296
T 65 301
T 65 305
T 65 308
T 65 315
T 65 321
T 65 324
T 65 325
T 65 330
T 65 333
T 65 336
T 65 337
T 65 350
T 65 369
T 65 370
T 65 377
T 65 379
T 65 380
T 65 387
T 65 388
T 65 395
T 65 398
T 65 403
T 65 419
T 65 423
T 65 428
T 65 436
T 65 445
T 65 452
T 65 456
T 65 457
T 65 459
T 65 461
T 65 462
T 65 463
T 65 464
T 65 467
T 65 471
T 65 475
T 65 476
T 65 497
T 65 498
T 65 500
T 65 506
T 65 507
T 65 511
T 65 521
T 65 530
T 65 534
T 65 539
T 65 550
T 65 551
T 65 559
T 65 568
T 65 575
T 65 3
T 65 21
T 65 33
T 65 43
T 65 51
T 65 54
T 65 58
T 65 64
T 65 67
T 65 69
T 65 71
T 65 79
T 65 85
T 65 96
T 65 99
T 65 102
T 65 122
T 65 126
T 65 127
T 65 130
T 65 135
T 65 140
T 65 142
T 65 148
T 65 149
T 65 154
T 65 165
T 65 167
T 65 168
T 65 171
T 65 176
T 65 179
T 65 181
T 65 192
T 65 197
T 65 198
T 65 199
T 65 201
T 65 206
T 65 208
T 65 209
T 65 212
T 65 214
T 65 215
T 65 217
T 65 223
T 65 227
T 65 233
T 65 236
T 65 242
T 65 243
T 65 245
T 65 260
T 65 267
T 65 268
T 65 276
T 65 280
T 65 289
T 65 292
T 65 297
T 65 300
T 65 302
T 65 311
T 65 314
T 65 322
T 65 329
T 65 341
T 65 343
T 65 345
T 65 349
T 65 357
T 65 363
T 65 366
T 65 368
T 65 371
T 65 375
T 65 385
T 65 391
T 65 400
T 65 402
T 65 404
T 65 406
T 65 409
T 65 410
T 65 412
T 65 415
T 65 424
T 65 432
T 65 433
T 65 434
T 65 437
T 65 442
T 65 443
T 65 444
T 65 446
T 65 449
T 65 460
T 65 469
T 65 473
T 65 477
T 65 487
T 65 492
T 65 509
T 65 512
T 65 517
T 65 519
T 65 523
T 65 524
T 65 526
T 65 528
T 65 533
T 65 540
T 65 541
T 65 542
T 65 546
T 65 548
T 65 553
T 65 556
T 65 558
T 65 564
T 65 566
T 65 572
T 65 573
T 65 4
T 65 7
T 65 13
T 65 14
T 65 18
T 65 37
T 65 38
T 65 48
T 65 50
T 65 53
T 65 56
T 65 59
T 65 61
T 65 65
T 65 72
T 65 78
T 65 86
T 65 95
T 65 109
T 65 112
T 65 116
T 65 136
T 65 156
T 65 157
T 65 158
T 65 160
T 65 169
T 65 184
T 65 187
T 65 188
T 65 189
T 65 190
T 65 195
T 65 200
T 65 202
T 65 218
T 65 224
T 65 225
T 65 230
T 65 237
T 65 248
T 65 253
T 65 255
T 65 263
T 65 264
T 65 266
T 65 274
T 65 282
T 65 287
T 65 293
T 65 295
T 65 304
T 65 309
T 65 310
T 65 320
T 65 328
T 65 334
T 65 335
T 65 339
T 65 340
T 65 Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO
STOP ********** Program terminated normally.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO
STOP ********** Program terminated normally.
342
T 65 348
T 65 354
T 65 360
T 65 365
T 65 367
T 65 372
T 65 381
T 65 383
T 65 384
T 65 392
T 65 396
T 65 397
T 65 401
T 65 408
T 65 411
T 65 417
T 65 418
T 65 421
T 65 422
T 65 430
T 65 435
T 65 458
T 65 465
T 65 468
T 65 470
T 65 472
T 65 474
T 65 480
T 65 482
T 65 483
T 65 488
T 65 490
T 65 491
T 65 494
T 65 496
T 65 501
T 65 502
T 65 504
T 65 508
T 65 516
T 65 518
T 65 520
T 65 525
T 65 527
T 65 529
T 65 532
T 65 535
T 65 543
T 65 555
T 65 565
T 65 569
T 65 570
T 65 25
T 65 32
T 65 42
T 65 46
T 65 63
T 65 80
T 65 88
T 65 103
T 65 105
T 65 106
T 65 108
T 65 139
T 65 144
T 65 163
T 65 170
T 65 174
T 65 185
T 65 239
T 65 244
T 65 247
T 65 249
T 65 254
T 65 306
T 65 313
T 65 317
T 65 326
T 65 332
T 65 351
T 65 352
T 65 361
T 65 364
T 65 376
T 65 382
T 65 390
T 65 393
T 65 399
T 65 407
T 65 414
T 65 425
T 65 426
T 65 427
T 65 431
T 65 438
T 65 450
T 65 451
T 65 454
T 65 455
T 65 466
T 65 481
T 65 484
T 65 485
T 65 486
T 65 493
T 65 495
T 65 503
T 65 505
T 65 514
T 65 515
T 65 522
T 65 531
T 65 536
T 65 547
T 65 549
T 65 557
T 65 561
T 65 562
T 65 567
T 65 574
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