1.95s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR
(dell15)
on 2023-05-29 04:20:31
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.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 8.00215E+01 AVE RMSD10.21
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.25666E+01 RMS 10.42
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.00342E+01 AVE RMSD 3.65
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.25674E+01 RMS 2.46
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.00471E+01 AVE RMSD 8.14
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.25673E+01 RMS 8.68
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 8.04885E+01 AVE RMSD 9.56
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.25704E+01 RMS 9.55
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.05745E+01 AVE RMSD 8.19
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.25681E+01 RMS 8.12
