Execution Time2.36s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-05-25 03:52:08
Repository revision: 79fd686e9d9aaa23e4fda802ee16379470e961d3


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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   7.60782E+01 AVE RMSD 9.38
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.86163E+01 RMS    8.26
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.62408E+01 AVE RMSD 4.27
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.86175E+01 RMS    3.92
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.65409E+01 AVE RMSD10.40
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.85646E+01 RMS   10.31
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.66943E+01 AVE RMSD 8.94
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.86435E+01 RMS    9.39
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.67810E+01 AVE RMSD 8.15
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.86481E+01 RMS    8.98