Execution Time2.13s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-03-22 22:05:42
Repository revision: ec9c93770c9e77ea31d2832f8598e3dbdac629d6


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 592693952 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   8.43340E+01 AVE RMSD 9.67
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70633E+01 RMS   10.16
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.44743E+01 AVE RMSD 1.85
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70636E+01 RMS    2.34
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.45951E+01 AVE RMSD 7.58
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70642E+01 RMS    6.75
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.52380E+01 AVE RMSD 8.03
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.70677E+01 RMS    7.31
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.58419E+01 AVE RMSD 8.92
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.72390E+01 RMS    8.57