Execution Time0.52s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-05-24 03:47:00
Repository revision: 79fd686e9d9aaa23e4fda802ee16379470e961d3


Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T -1295827696           1
 T -1295827696           4
 T -1295827696           9
 T -1295827696          12
 T -1295827696          15
 T -1295827696          26
 T -1295827696          33
 T -1295827696          37
 T -1295827696          38
 T -1295827696          50
 T -1295827696          53
 T -1295827696           2
 T -1295827696           7
 T -1295827696          11
 T -1295827696          14
 T -1295827696          19
 T -1295827696          24
 T -1295827696          25
 T -1295827696          28
 T -1295827696          42
 T -1295827696          43
 T -1295827696          45
 T -1295827696          47
 T -1295827696           3
 T -1295827696           5
 T -1295827696          13
 T -1295827696          16
 T -1295827696          35
 T -1295827696          48
 T -1295827696           6
 T -1295827696          10
 T -1295827696          17
 T -1295827696          20
 T -1295827696          21
 T -1295827696          22
 T -1295827696          23
 T -1295827696          29
 T -1295827696          30
 T -1295827696          32
 T -1295827696          34
 T -1295827696          39
 T -1295827696          40
 T -1295827696          41
 T -1295827696          44
 T -1295827696          46
 T -1295827696          51
 T -1295827696          52
 T -1295827696           8
 T -1295827696          18
 T -1295827696          27
 T -1295827696          31
 T -1295827696          36
 T -1295827696          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