Execution Time1.92s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-5D-MPI-DFA E0LL2Y (dell15) on 2020-04-19 08:43:21
Repository revision: f157749e47c643286518267992ae6bdae3289473


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 3 arg vs 97 in file********** Program terminated normally.
********** Program terminated normally.
 JESTEM
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -1.37313E+02 AVE RMSD 9.58
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.34574E+02 RMS    8.94
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -1.37066E+02 AVE RMSD 7.35
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.34575E+02 RMS    7.10
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -1.36796E+02 AVE RMSD 8.97
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.34575E+02 RMS    9.16
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -1.36574E+02 AVE RMSD10.14
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.34575E+02 RMS   10.24
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -1.36440E+02 AVE RMSD 4.64
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.34575E+02 RMS    4.67