Execution Time1.86s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-04-01 03:59:50
Repository revision: df5ad6c769f328b01ef15673420b789f998f0d83


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -550270272 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   7.94329E+01 AVE RMSD 1.37
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22610E+01 RMS    1.69
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.96039E+01 AVE RMSD 1.40
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22598E+01 RMS    1.44
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.96271E+01 AVE RMSD 1.17
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22607E+01 RMS    1.14
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.14090E+01 AVE RMSD 3.14
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.23529E+01 RMS    3.59
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.20869E+01 AVE RMSD 7.32
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.32916E+01 RMS    7.96