CDash : UNRES

2.08s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-06-04 03:51:10
Repository revision: 14d7a0ae98facb625af26b66febcdc79e15f1e6a

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CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 9021406 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   8.10285E+01 AVE RMSD 8.97
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.37002E+01 RMS    9.49
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.10981E+01 AVE RMSD 1.96
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.37285E+01 RMS    1.45
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.12131E+01 AVE RMSD 9.98
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.37320E+01 RMS   10.36
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.18674E+01 AVE RMSD 8.28
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.37355E+01 RMS    9.00
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.22088E+01 AVE RMSD 8.40
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.37339E+01 RMS    7.97