Execution Time2.10s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI NEWCORR (dell15) on 2020-05-18 03:48:48
Repository revision: 7cb2846e682af69c598f6b109dff15a8ea147a1f


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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   8.07822E+01 AVE RMSD 1.39
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.38562E+01 RMS    1.06
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.13021E+01 AVE RMSD 1.14
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.38574E+01 RMS    1.07
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.17405E+01 AVE RMSD 1.40
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.38594E+01 RMS    1.29
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.27731E+01 AVE RMSD 2.48
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.38620E+01 RMS    2.80
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.31435E+01 AVE RMSD 3.82
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.38731E+01 RMS    3.70