Execution Time1.28s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-04-08 04:04:06
Repository revision: 7c5373260289072f6022e1d937ab775fc820e6a2


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 9185406 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   1.15418E+02 AVE RMSD 1.43
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.18231E+02 RMS    1.40
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   1.15730E+02 AVE RMSD 1.26
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.18232E+02 RMS    1.05
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   1.15892E+02 AVE RMSD 1.26
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.18231E+02 RMS    1.05
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   1.16242E+02 AVE RMSD 1.44
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.18232E+02 RMS    1.31
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   1.16739E+02 AVE RMSD 1.43
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.18237E+02 RMS    1.27