Execution Time2.25s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-06-17 03:54:13
Repository revision: 95cc80884174e2d4316e46f0fb50a061a1e20f76


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 9013470 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   7.93822E+01 AVE RMSD 1.44
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22405E+01 RMS    1.34
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.98167E+01 AVE RMSD 3.75
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22395E+01 RMS    2.87
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.00931E+01 AVE RMSD10.13
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22392E+01 RMS   10.50
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.02521E+01 AVE RMSD 8.50
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22497E+01 RMS    8.57
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.05347E+01 AVE RMSD 7.96
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.22437E+01 RMS    7.69