CDash : UNRES

2.31s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-06-07 23:46:38
Repository revision: df7798f36ae1ab43a54da798d3f825f92b2273b0

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Test output

CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 353077662 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   8.24918E+01 AVE RMSD 4.26
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.52886E+01 RMS    3.68
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.26625E+01 AVE RMSD 8.95
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.52868E+01 RMS    9.33
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.29525E+01 AVE RMSD10.16
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.52890E+01 RMS   10.07
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.33684E+01 AVE RMSD 7.71
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.52855E+01 RMS    7.61
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.34908E+01 AVE RMSD 8.00
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.52911E+01 RMS    7.69