Execution Time2.26s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR (dell15) on 2020-05-22 03:55:41
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   7.86384E+01 AVE RMSD10.30
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11993E+01 RMS    9.85
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   7.87042E+01 AVE RMSD 2.71
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.12005E+01 RMS    2.47
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   7.88063E+01 AVE RMSD 9.05
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.11967E+01 RMS    8.47
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   7.90114E+01 AVE RMSD 7.45
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.12002E+01 RMS    7.40
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   7.93089E+01 AVE RMSD 9.16
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.12000E+01 RMS    9.51