Execution Time1.53s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-05-16 04:08:22
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   6.97773E+01 AVE RMSD 1.98
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.26034E+01 RMS    2.85
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.08627E+01 AVE RMSD 9.80
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.26021E+01 RMS   10.48
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.09955E+01 AVE RMSD 4.96
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.26091E+01 RMS    5.34
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.10340E+01 AVE RMSD10.17
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.26189E+01 RMS   10.08
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.17468E+01 AVE RMSD 7.85
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.28762E+01 RMS    7.37