Execution Time2.06s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2023-05-13 04:49:42
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   8.23807E+01 AVE RMSD 1.38
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50246E+01 RMS    1.50
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.24629E+01 AVE RMSD 2.96
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50247E+01 RMS    3.43
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.28554E+01 AVE RMSD 7.77
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50426E+01 RMS    8.03
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.28671E+01 AVE RMSD 9.77
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50283E+01 RMS    9.56
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.55222E+01 AVE RMSD24.23
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.60719E+01 RMS   21.52