Execution Time2.28s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-06-16 04:03:37
Repository revision: c62681428a265ac97e154b843c5afa4a3d97e9e6


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 569078302 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   8.20459E+01 AVE RMSD 2.41
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50167E+01 RMS    3.75
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.29092E+01 AVE RMSD 8.80
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50177E+01 RMS    8.73
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.29585E+01 AVE RMSD 7.87
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50192E+01 RMS    7.73
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.30683E+01 AVE RMSD 7.34
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50206E+01 RMS    7.01
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.33034E+01 AVE RMSD 9.41
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.50226E+01 RMS    9.29