Execution Time1.88s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-04-07 05:06:25
Repository revision: 7c5373260289072f6022e1d937ab775fc820e6a2


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 164773054 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   7.57447E+01 AVE RMSD 1.45
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.88455E+01 RMS    1.34
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.62347E+01 AVE RMSD 1.20
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.88461E+01 RMS    1.23
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.70010E+01 AVE RMSD 2.71
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.88494E+01 RMS    2.58
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.76283E+01 AVE RMSD 1.45
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.88516E+01 RMS    1.49
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.82006E+01 AVE RMSD 3.65
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.91512E+01 RMS    3.37