1.87s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI E0LL2Y
(dell15)
on 2020-04-10 03:47:48
Repository revision: fb796f6ccc7879c3ae3d07e87499aaa430469deb
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; 9495856 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 -1.59052E+02 AVE RMSD 1.46
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.56255E+02 RMS 1.49
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.58719E+02 AVE RMSD 1.41
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.56256E+02 RMS 1.15
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.58436E+02 AVE RMSD 1.36
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.56254E+02 RMS 1.65
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.58281E+02 AVE RMSD 1.67
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.56254E+02 RMS 1.54
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.56785E+02 AVE RMSD 3.91
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.56165E+02 RMS 3.94