CDash : UNRES

2.33s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR (dell15) on 2020-05-08 04:10:21
Repository revision: 2dd3a6f9908d6b50c116304f759917d6427a1158

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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   8.39159E+01 AVE RMSD10.05
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.69395E+01 RMS   10.11
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.47595E+01 AVE RMSD 4.10
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.69454E+01 RMS    3.60
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.48325E+01 AVE RMSD 8.69
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.69401E+01 RMS    8.08
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.49241E+01 AVE RMSD 1.85
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.69416E+01 RMS    1.55
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.55338E+01 AVE RMSD 8.54
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.69433E+01 RMS    8.50