1.84s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI E0LL2Y
(dell15)
on 2020-04-12 03:47:56
Repository revision: 5673961eec8f29bcff4be10a73b31f835ac927db
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; 3 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 -1.60634E+02 AVE RMSD 1.60
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.57842E+02 RMS 1.63
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.60228E+02 AVE RMSD 1.33
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.57841E+02 RMS 1.37
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.59867E+02 AVE RMSD 2.84
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.57843E+02 RMS 2.68
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.59689E+02 AVE RMSD 2.59
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.57842E+02 RMS 2.38
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.59038E+02 AVE RMSD 1.71
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.56733E+02 RMS 1.71