Execution Time1.60s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-05-08 04:49:51
Repository revision: 2dd3a6f9908d6b50c116304f759917d6427a1158


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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   7.72452E+01 AVE RMSD 8.92
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96306E+01 RMS    9.28
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.76690E+01 AVE RMSD 9.33
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96391E+01 RMS    9.64
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.76799E+01 AVE RMSD 7.41
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96827E+01 RMS    7.14
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.80328E+01 AVE RMSD10.28
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96345E+01 RMS   10.53
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.80667E+01 AVE RMSD 8.30
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96720E+01 RMS    7.49