Execution Time1.60s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-05-17 04:35:12
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   7.08334E+01 AVE RMSD10.02
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.33806E+01 RMS   10.26
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.09974E+01 AVE RMSD 3.97
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.33838E+01 RMS    3.58
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.20232E+01 AVE RMSD 7.66
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.34287E+01 RMS    7.87
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.28275E+01 AVE RMSD 8.62
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.39391E+01 RMS    8.47
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.29114E+01 AVE RMSD 9.39
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.40387E+01 RMS    9.60