Execution Time2.14s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-04-17 04:01:40
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   7.97342E+01 AVE RMSD 1.43
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.27331E+01 RMS    1.31
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.00555E+01 AVE RMSD 1.16
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.27338E+01 RMS    1.00
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.05053E+01 AVE RMSD 1.28
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.27328E+01 RMS    1.42
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.16993E+01 AVE RMSD 1.46
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.27464E+01 RMS    1.34
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.18361E+01 AVE RMSD 2.95
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.27446E+01 RMS    2.17