CDash : UNRES

2.43s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-04-22 04:17:29
Repository revision: c8f1285550b0dbec11ec40fe6caab6f400bf21d2

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Test output

CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 3 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   8.88332E+01 AVE RMSD 8.02
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.14836E+01 RMS    8.98
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.88559E+01 AVE RMSD 8.91
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.14855E+01 RMS    8.99
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.89318E+01 AVE RMSD 8.85
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.14853E+01 RMS    8.20
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.92848E+01 AVE RMSD 7.36
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.14876E+01 RMS    7.77
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.98953E+01 AVE RMSD 8.62
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.14939E+01 RMS    8.49