Execution Time2.14s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-03-29 05:05:39
Repository revision: b3efc8d5acc9051f49c246721f0d1f78dde46d01


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -561669408 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   1.23455E+02 AVE RMSD 1.36
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26734E+02 RMS    1.25
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   1.24776E+02 AVE RMSD 1.22
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26736E+02 RMS    1.03
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   1.25546E+02 AVE RMSD 3.59
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26915E+02 RMS    3.69
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   1.25590E+02 AVE RMSD 2.42
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26773E+02 RMS    2.05
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   1.25947E+02 AVE RMSD 3.15
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26811E+02 RMS    3.28