Execution Time3.33s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-06-17 04:07:29
Repository revision: 95cc80884174e2d4316e46f0fb50a061a1e20f76


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 749079774 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   7.46206E+01 AVE RMSD 1.49
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.77491E+01 RMS    1.54
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.60947E+01 AVE RMSD 7.21
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.77627E+01 RMS    7.03
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.63373E+01 AVE RMSD 7.52
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.79124E+01 RMS    6.86
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.63814E+01 AVE RMSD 8.72
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.77911E+01 RMS    9.29
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.67703E+01 AVE RMSD 9.06
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.80174E+01 RMS    9.79