Execution Time1.09s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-03-21 22:32:41
Repository revision: 3a6c6a2663a9647269e63106ffa3b9dc9a437027


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 610421440 arg vs 97 in file********** Program terminated normally.
********** Program terminated normally.
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -2.55551E+00 AVE RMSD 1.59
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -2.54706E+00 RMS    1.59
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -2.37459E+00 AVE RMSD 1.19
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -2.37459E+00 RMS    1.19
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -1.62791E+00 AVE RMSD 1.13
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.50015E+00 RMS    1.15
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -1.19533E+00 AVE RMSD 1.91
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -1.19533E+00 RMS    1.91
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -8.48792E-01 AVE RMSD 2.24
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY    -8.48792E-01 RMS    2.24