1.96s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI E0LL2Y
(dell15)
on 2020-05-15 03:48:47
Repository revision: 2dd3a6f9908d6b50c116304f759917d6427a1158
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.
JESTEM
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.49407E+02 AVE RMSD 9.81
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46569E+02 RMS 10.35
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.48858E+02 AVE RMSD 3.03
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46568E+02 RMS 2.57
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.48398E+02 AVE RMSD 8.94
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46570E+02 RMS 8.17
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.48378E+02 AVE RMSD 8.05
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46567E+02 RMS 8.20
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.47931E+02 AVE RMSD 8.24
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46567E+02 RMS 8.78