Execution Time1.94s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-04-17 04:42:24
Repository revision: 5673961eec8f29bcff4be10a73b31f835ac927db


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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.
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   7.91613E+01 AVE RMSD 1.39
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22457E+01 RMS    1.34
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.95347E+01 AVE RMSD 1.25
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22473E+01 RMS    1.17
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.06820E+01 AVE RMSD 1.37
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22503E+01 RMS    1.37
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.15749E+01 AVE RMSD 3.06
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.23716E+01 RMS    2.61
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.16554E+01 AVE RMSD 4.13
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.26224E+01 RMS    4.85