Execution Time2.57s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-05-11 04:20:44
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   8.44411E+01 AVE RMSD 3.54
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70719E+01 RMS    3.54
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.44455E+01 AVE RMSD 9.18
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70735E+01 RMS    9.53
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.48695E+01 AVE RMSD 7.65
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70755E+01 RMS    7.69
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.49544E+01 AVE RMSD 8.95
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70754E+01 RMS    9.18
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.54133E+01 AVE RMSD 7.18
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.71322E+01 RMS    5.81