Execution Time0.39s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-04-19 03:47:10
Repository revision: 5673961eec8f29bcff4be10a73b31f835ac927db


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Test output
CTEST_FULL_OUTPUT
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T -1947385440           1
 T -1947385440           4
 T -1947385440           9
 T -1947385440          12
 T -1947385440          15
 T -1947385440          26
 T -1947385440          33
 T -1947385440          37
 T -1947385440          38
 T -1947385440          50
 T -1947385440          53
 T -1947385440           2
 T -1947385440           7
 T -1947385440          11
 T -1947385440          14
 T -1947385440          19
 T -1947385440          24
 T -1947385440          25
 T -1947385440          28
 T -1947385440          42
 T -1947385440          43
 T -1947385440          45
 T -1947385440          47
 T -1947385440           3
 T -1947385440           5
 T -1947385440          13
 T -1947385440          16
 T -1947385440          35
 T -1947385440          48
 T -1947385440           6
 T -1947385440          10
 T -1947385440          17
 T -1947385440          20
 T -1947385440          21
 T -1947385440          22
 T -1947385440          23
 T -1947385440          29
 T -1947385440          30
 T -1947385440          32
 T -1947385440          34
 T -1947385440          39
 T -1947385440          40
 T -1947385440          41
 T -1947385440          44
 T -1947385440          46
 T -1947385440          51
 T -1947385440          52
 T -1947385440           8
 T -1947385440          18
 T -1947385440          27
 T -1947385440          31
 T -1947385440          36
 T -1947385440          49
THERE ARE    5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   4.88719E+00 AVE RMSD 3.28
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering      ENERGY     5.00998E+00 RMS    3.22
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   5.51604E+00 AVE RMSD 3.73
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering      ENERGY     5.86048E+00 RMS    3.93
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   5.59557E+00 AVE RMSD 4.73
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering      ENERGY     5.95984E+00 RMS    4.54
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   5.79408E+00 AVE RMSD 2.24
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering      ENERGY     6.38056E+00 RMS    2.19
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   6.35101E+00 AVE RMSD 4.09
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering      ENERGY     6.63064E+00 RMS    3.96