CDash : UNRES

1.31s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-04-30 04:51:07
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   7.72350E+01 AVE RMSD 8.93
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96642E+01 RMS    9.35
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.74468E+01 AVE RMSD 9.01
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96660E+01 RMS    9.24
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.78708E+01 AVE RMSD 7.30
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.97192E+01 RMS    7.14
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.80137E+01 AVE RMSD10.30
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96690E+01 RMS   10.53
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.84003E+01 AVE RMSD 7.68
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.97808E+01 RMS    7.81