CDash : UNRES

1.93s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-03-30 18:26:38
Repository revision: 7980f79b7d2bac583153caace7127c57b89119aa

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CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -544650528 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   7.82041E+01 AVE RMSD 1.34
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.15072E+01 RMS    1.13
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.02760E+01 AVE RMSD 3.55
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.18682E+01 RMS    2.50
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.03242E+01 AVE RMSD 1.61
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.15098E+01 RMS    1.42
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.14018E+01 AVE RMSD 3.25
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.21594E+01 RMS    3.28
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.19772E+01 AVE RMSD 8.32
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25326E+01 RMS    8.28