Execution Time2.00s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI E0LL2Y (dell15) on 2024-04-05 03:48:34
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  -1.53512E+02 AVE RMSD 1.50
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.50545E+02 RMS    1.00
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -1.52967E+02 AVE RMSD10.13
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.50546E+02 RMS   10.16
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -1.52478E+02 AVE RMSD 2.63
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.50545E+02 RMS    3.45
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -1.51669E+02 AVE RMSD 3.99
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.50522E+02 RMS    3.94
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -1.51496E+02 AVE RMSD 8.69
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.50541E+02 RMS    8.46