Execution Time3.01s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-05-17 03:49:05
Repository revision: f4baa9d977d410c18460351fc84ece8658834d52


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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   7.76339E+01 AVE RMSD 1.42
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.05801E+01 RMS    1.32
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.80518E+01 AVE RMSD 1.16
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.05801E+01 RMS    1.09
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.81798E+01 AVE RMSD 1.37
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.05798E+01 RMS    1.14
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.89036E+01 AVE RMSD 2.74
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.05862E+01 RMS    3.02
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.92344E+01 AVE RMSD 1.27
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.05888E+01 RMS    1.28