2.17s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-03-27 18:42:27
Repository revision: e03a9f80b12c006af17dcbe2d9a6a8c431db1dd1
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
wrong number of coordinates in xdr3dfcoor; -543348000 arg vs 97 in file********** Program terminated normally.
********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 1.23521E+02 AVE RMSD 1.40
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.26555E+02 RMS 1.38
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 1.24239E+02 AVE RMSD 1.20
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.26583E+02 RMS 1.33
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 1.25492E+02 AVE RMSD 3.55
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.26857E+02 RMS 3.30
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.25582E+02 AVE RMSD 2.42
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.26851E+02 RMS 2.05
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.25898E+02 AVE RMSD 3.14
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 1.26750E+02 RMS 3.28