Execution Time2.22s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-DFA E0LL2Y (dell15) on 2024-03-07 04:07:59
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef


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Test output
CTEST_FULL_OUTPUT
********** Program terminated normally.
********** Program terminated normally.
 JESTEM
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -1.49831E+02 AVE RMSD 9.71
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.47012E+02 RMS   10.33
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -1.49491E+02 AVE RMSD10.22
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.47011E+02 RMS   10.09
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -1.48858E+02 AVE RMSD 8.60
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.47002E+02 RMS    8.45
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -1.48411E+02 AVE RMSD 3.95
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.46902E+02 RMS    2.72
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -1.48025E+02 AVE RMSD 9.53
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.46907E+02 RMS    9.37