Execution Time2.19s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-06-08 04:03:20
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 353077662 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   8.39967E+01 AVE RMSD 8.19
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.65973E+01 RMS    8.22
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.40513E+01 AVE RMSD 3.29
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66038E+01 RMS    1.57
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.41240E+01 AVE RMSD 8.86
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66048E+01 RMS    9.09
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.42600E+01 AVE RMSD 8.35
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66014E+01 RMS   10.32
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.50031E+01 AVE RMSD 9.46
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.66532E+01 RMS    8.94