1.86s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI E0LL2Y
(dell15)
on 2020-04-01 03:47:54
Repository revision: df5ad6c769f328b01ef15673420b789f998f0d83
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
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Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -182637888 arg vs 97 in file********** Program terminated normally.
********** Program terminated normally.
JESTEM
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.51373E+02 AVE RMSD 1.40
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48569E+02 RMS 1.40
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.51021E+02 AVE RMSD 2.73
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48567E+02 RMS 2.70
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.50832E+02 AVE RMSD 1.43
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48569E+02 RMS 1.44
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.50709E+02 AVE RMSD 1.53
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48565E+02 RMS 1.35
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.49684E+02 AVE RMSD 4.41
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48564E+02 RMS 4.25