Execution Time1.81s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-04-24 04:47:49
Repository revision: c8f1285550b0dbec11ec40fe6caab6f400bf21d2


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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   7.72328E+01 AVE RMSD 8.94
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96686E+01 RMS    9.35
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.74478E+01 AVE RMSD 9.01
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96704E+01 RMS    9.24
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.78756E+01 AVE RMSD 7.30
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.97243E+01 RMS    7.14
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.80165E+01 AVE RMSD10.30
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96737E+01 RMS   10.53
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.84051E+01 AVE RMSD 7.68
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.97859E+01 RMS    7.81