1.59s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR
(dell15)
on 2020-05-22 04:08:14
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 7.08334E+01 AVE RMSD10.02
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.33806E+01 RMS 10.26
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.09974E+01 AVE RMSD 3.97
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.33838E+01 RMS 3.58
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.20232E+01 AVE RMSD 7.66
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.34287E+01 RMS 7.87
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 7.28275E+01 AVE RMSD 8.62
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.39391E+01 RMS 8.47
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 7.29114E+01 AVE RMSD 9.39
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 7.40387E+01 RMS 9.60