Execution Time1.89s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR (dell15) on 2024-04-12 04:22:53
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef


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Test output
CTEST_FULL_OUTPUT
********** Program terminated normally.
********** Program terminated normally.
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   8.00215E+01 AVE RMSD10.21
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25666E+01 RMS   10.42
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.00342E+01 AVE RMSD 3.65
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25674E+01 RMS    2.46
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.00471E+01 AVE RMSD 8.14
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25673E+01 RMS    8.68
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.04885E+01 AVE RMSD 9.56
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25704E+01 RMS    9.55
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.05745E+01 AVE RMSD 8.19
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25681E+01 RMS    8.12