CDash : UNRES

2.50s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-04-22 03:49:06
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   8.89419E+01 AVE RMSD 9.28
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.15652E+01 RMS    9.51
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.90472E+01 AVE RMSD 8.76
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.15621E+01 RMS    9.20
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.90633E+01 AVE RMSD 7.22
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.15649E+01 RMS    5.12
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.94081E+01 AVE RMSD 9.44
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.15644E+01 RMS    9.15
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.98266E+01 AVE RMSD 9.83
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     9.16020E+01 RMS    9.78