Execution Time2.38s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-06-07 03:51:12
Repository revision: 60f96b7e80a20922d99bac9b854cf106b25b042c


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 9021406 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   8.15543E+01 AVE RMSD 9.28
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.43433E+01 RMS    8.89
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.16473E+01 AVE RMSD 2.66
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.43448E+01 RMS    3.23
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.24661E+01 AVE RMSD 9.22
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.43440E+01 RMS    9.33
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.24771E+01 AVE RMSD 8.46
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.43557E+01 RMS    7.66
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.25076E+01 AVE RMSD 8.36
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.43493E+01 RMS    7.40