1.96s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-DFA E0LL2Y
(dell15)
on 2020-05-15 04:14:52
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 -1.56190E+02 AVE RMSD 9.89
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53754E+02 RMS 10.44
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.56083E+02 AVE RMSD 4.55
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53757E+02 RMS 3.71
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.56066E+02 AVE RMSD 9.52
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53754E+02 RMS 9.54
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.56029E+02 AVE RMSD 1.61
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53755E+02 RMS 1.64
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.54834E+02 AVE RMSD 4.93
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.53627E+02 RMS 4.93