1.91s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-DFA E0LL2Y
(dell15)
on 2023-06-06 04:08:46
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
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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 -1.49831E+02 AVE RMSD 9.71
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47012E+02 RMS 10.33
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.49491E+02 AVE RMSD10.22
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47011E+02 RMS 10.09
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.48858E+02 AVE RMSD 8.60
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47002E+02 RMS 8.45
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.48411E+02 AVE RMSD 3.95
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46902E+02 RMS 2.72
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.48025E+02 AVE RMSD 9.53
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46907E+02 RMS 9.37