Execution Time2.46s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-05-10 03:48:59
Repository revision: 2dd3a6f9908d6b50c116304f759917d6427a1158


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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   8.39687E+01 AVE RMSD 6.49
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66248E+01 RMS    7.23
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.39694E+01 AVE RMSD 7.68
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66220E+01 RMS    6.84
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.40324E+01 AVE RMSD 1.36
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66234E+01 RMS    1.35
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.48544E+01 AVE RMSD 9.77
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66400E+01 RMS    9.49
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.56490E+01 AVE RMSD 8.68
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.67777E+01 RMS    7.70