Execution Time2.04s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR (dell15) on 2020-05-17 04:04:19
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   7.80300E+01 AVE RMSD 1.34
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11747E+01 RMS    1.18
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.90354E+01 AVE RMSD 1.33
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11760E+01 RMS    1.43
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.90650E+01 AVE RMSD 1.17
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11774E+01 RMS    1.24
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.96729E+01 AVE RMSD 3.85
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11746E+01 RMS    3.97
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.04409E+01 AVE RMSD 2.61
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11842E+01 RMS    2.50