1.96s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI E0LL2Y
(dell15)
on 2023-05-29 03:48:32
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
********** Program terminated normally.
********** Program terminated normally.
JESTEM
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.53512E+02 AVE RMSD 1.50
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.50545E+02 RMS 1.00
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.52967E+02 AVE RMSD10.13
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.50546E+02 RMS 10.16
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.52478E+02 AVE RMSD 2.63
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.50545E+02 RMS 3.45
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.51669E+02 AVE RMSD 3.99
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.50522E+02 RMS 3.94
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.51496E+02 AVE RMSD 8.69
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.50541E+02 RMS 8.46
