1.62s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-05-17 04:19:28
Repository revision: f4baa9d977d410c18460351fc84ece8658834d52
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; 3 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 6.97631E+01 AVE RMSD 1.98
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.26210E+01 RMS 2.85
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.08543E+01 AVE RMSD 9.77
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.26196E+01 RMS 10.48
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.10134E+01 AVE RMSD 4.96
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.26265E+01 RMS 5.34
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 7.10396E+01 AVE RMSD10.16
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.26360E+01 RMS 10.08
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 7.17696E+01 AVE RMSD 7.85
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.28931E+01 RMS 7.37