Execution Time1.24s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-05-20 04:08:20
Repository revision: 7cb2846e682af69c598f6b109dff15a8ea147a1f


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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   7.08659E+01 AVE RMSD10.16
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.31983E+01 RMS   10.26
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.09507E+01 AVE RMSD 3.88
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.32011E+01 RMS    3.58
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.18557E+01 AVE RMSD 7.65
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.32472E+01 RMS    7.87
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.28089E+01 AVE RMSD 9.36
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.38756E+01 RMS    9.60
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.28605E+01 AVE RMSD 8.64
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.38842E+01 RMS    7.98