Execution Time5.97s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR (dell15) on 2023-05-29 04:20:31
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef


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Test output
CTEST_FULL_OUTPUT
********** Program terminated normally.
********** Program terminated normally.
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
THERE ARE    5 FAMILIES OF CONFORMATIONS
dfa_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -5.27236E+02 AVE RMSD 0.00
dfa_wham_T280K_0001.pdb:REMARK clustering           ENERGY    -5.25448E+02 RMS    0.00
dfa_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -5.27201E+02 AVE RMSD 0.00
dfa_wham_T280K_0002.pdb:REMARK clustering           ENERGY    -5.25448E+02 RMS    0.00
dfa_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -5.27198E+02 AVE RMSD 0.00
dfa_wham_T280K_0003.pdb:REMARK clustering           ENERGY    -5.25446E+02 RMS    0.00
dfa_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -5.27195E+02 AVE RMSD 0.00
dfa_wham_T280K_0004.pdb:REMARK clustering           ENERGY    -5.25446E+02 RMS    0.00
dfa_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -5.26972E+02 AVE RMSD 0.00
dfa_wham_T280K_0005.pdb:REMARK clustering           ENERGY    -5.25446E+02 RMS    0.00