Execution Time0.41s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-04-02 03:47:09
Repository revision: 05c1789531ec3f44dfebf41b426cb1204329e7ff


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Test output
CTEST_FULL_OUTPUT
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
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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