2.10s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI NEWCORR
(dell15)
on 2020-05-19 03:48:55
Repository revision: 7cb2846e682af69c598f6b109dff15a8ea147a1f
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 8.07822E+01 AVE RMSD 1.39
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.38562E+01 RMS 1.06
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.13021E+01 AVE RMSD 1.14
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.38574E+01 RMS 1.07
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.17405E+01 AVE RMSD 1.40
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.38594E+01 RMS 1.29
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 8.27731E+01 AVE RMSD 2.48
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.38620E+01 RMS 2.80
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.31435E+01 AVE RMSD 3.82
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.38731E+01 RMS 3.70