Execution Time0.58s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI-DFA E0LL2Y (dell15) on 2020-06-13 03:46:04
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9


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Test output
CTEST_FULL_OUTPUT
 JESTEM
 T   365138736           1
 T   365138736           7
 T   365138736           8
 T   365138736          13
 T   365138736          14
 T   365138736          20
 T   365138736          21
 T   365138736          25
 T   365138736          30
 T   365138736          32
 T   365138736          38
 T   365138736          39
 T   365138736          48
 T   365138736          49
 T   365138736          68
 T   365138736          69
 T   365138736          71
 T   365138736          72
 T   365138736          74
 T   365138736          85
 T   365138736          86
 T   365138736          87
 T   365138736          93
 T   365138736         105
 T   365138736         107
 T   365138736         112
 T   365138736         113
 T   365138736         114
 T   365138736         133
 T   365138736         137
 T   365138736         138
 T   365138736         140
 T   365138736         145
 T   365138736         155
 T   365138736         158
 T   365138736         162
 T   365138736         170
 T   365138736         172
 T   365138736         176
 T   365138736         177
 T   365138736           2
 T   365138736           3
 T   365138736           5
 T   365138736          10
 T   365138736          18
 T   365138736          27
 T   365138736          31
 T   365138736          35
 T   365138736          36
 T   365138736          37
 T   365138736          41
 T   365138736          47
 T   365138736          51
 T   365138736          53
 T   365138736          61
 T   365138736          70
 T   365138736          75
 T   365138736          77
 T   365138736          79
 T   365138736          84
 T   365138736          89
 T   365138736          92
 T   365138736          94
 T   365138736          96
 T   365138736          98
 T   365138736          99
 T   365138736         119
 T   365138736         121
 T   365138736         125
 T   365138736         129
 T   365138736         130
 T   365138736         136
 T   365138736         142
 T   365138736         149
 T   365138736         150
 T   365138736         152
 T   365138736         153
 T   365138736         161
 T   365138736         165
 T   365138736         166
 T   365138736         171
 T   365138736         174
 T   365138736         179
 T   365138736         181
 T   365138736         183
 T   365138736         184
 T   365138736         186
 T   365138736           4
 T   365138736          11
 T   365138736          12
 T   365138736          15
 T   365138736          16
 T   365138736          17
 T   365138736          19
 T   365138736          22
 T   365138736          24
 T   365138736          26
 T   365138736          45
 T   365138736          46
 T   365138736          50
 T   365138736          55
 T   365138736          62
 T   365138736          64
 T   365138736          65
 T   365138736          67
 T   365138736          73
 T   365138736          76
 T   365138736          81
 T   365138736          82
 T   365138736          83
 T   365138736          88
 T   365138736          91
 T   365138736          97
 T   365138736         100
 T   365138736         101
 T   365138736         103
 T   365138736         104
 T   365138736         108
 T   365138736         110
 T   365138736         115
 T   365138736         117
 T   365138736         120
 T   365138736         122
 T   365138736         123
 T   365138736         124
 T   365138736         127
 T   365138736         132
 T   365138736         134
 T   365138736         135
 T   365138736         141
 T   365138736         144
 T   365138736         148
 T   365138736         151
 T   365138736         154
 T   365138736         157
 T   365138736         160
 T   365138736         163
 T   365138736         164
 T   365138736         173
 T   365138736         175
 T   365138736         178
 T   365138736         180
 T   365138736           6
 T   365138736          23
 T   365138736          29
 T   365138736          33
 T   365138736          34
 T   365138736          40
 T   365138736          43
 T   365138736          44
 T   365138736          52
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T   365138736          54
 T   365138736          56
 T   365138736          57
 T   365138736          58
 T   365138736          59
 T   365138736          60
 T   365138736          66
 T   365138736          78
 T   365138736          80
 T   365138736          90
 T   365138736          95
 T   365138736         102
 T   365138736         111
 T   365138736         116
 T   365138736         118
 T   365138736         126
 T   365138736         131
 T   365138736         143
 T   365138736         159
 T   365138736         168
 T   365138736         169
 T   365138736         182
 T   365138736         185
 T   365138736           9
 T   365138736          28
 T   365138736          42
 T   365138736          63
 T   365138736         106
 T   365138736         109
 T   365138736         128
 T   365138736         139
 T   365138736         146
 T   365138736         147
 T   365138736         156
 T   365138736         167
THERE ARE    5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   2.17826E+00 AVE RMSD 5.19
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering      ENERGY     2.31768E+00 RMS    4.98
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   2.75678E+00 AVE RMSD 4.24
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering      ENERGY     3.47622E+00 RMS    4.29
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   2.89081E+00 AVE RMSD 3.75
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering      ENERGY     3.64948E+00 RMS    4.52
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   3.32555E+00 AVE RMSD 3.70
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering      ENERGY     3.77348E+00 RMS    4.06
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   3.78099E+00 AVE RMSD 4.90
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering      ENERGY     4.01676E+00 RMS    4.79