Execution Time2.17s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-03-27 18:42:27
Repository revision: e03a9f80b12c006af17dcbe2d9a6a8c431db1dd1


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -543348000 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   1.23521E+02 AVE RMSD 1.40
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26555E+02 RMS    1.38
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   1.24239E+02 AVE RMSD 1.20
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26583E+02 RMS    1.33
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   1.25492E+02 AVE RMSD 3.55
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26857E+02 RMS    3.30
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   1.25582E+02 AVE RMSD 2.42
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26851E+02 RMS    2.05
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   1.25898E+02 AVE RMSD 3.14
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     1.26750E+02 RMS    3.28