Execution Time1.68s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-05-03 04:49:06
Repository revision: 2bc0c5f06a45a86998d13adb237a1c84e46e12e8


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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   7.72374E+01 AVE RMSD 8.93
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96552E+01 RMS    9.28
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.74493E+01 AVE RMSD 9.00
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96637E+01 RMS    9.64
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.78608E+01 AVE RMSD 7.30
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.97079E+01 RMS    7.14
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.80088E+01 AVE RMSD10.30
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.96593E+01 RMS   10.53
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.83874E+01 AVE RMSD 7.68
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     7.97689E+01 RMS    7.81