Execution Time2.32s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-06-05 04:07:31
Repository revision: 14d7a0ae98facb625af26b66febcdc79e15f1e6a


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 353087774 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   7.82397E+01 AVE RMSD 9.77
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11172E+01 RMS    9.05
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.86136E+01 AVE RMSD 2.07
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11184E+01 RMS    1.22
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.89250E+01 AVE RMSD 3.22
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11193E+01 RMS    3.00
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.93237E+01 AVE RMSD 5.96
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11224E+01 RMS    4.13
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.96097E+01 AVE RMSD 7.52
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11233E+01 RMS    7.56