Hi, I think g_covar can calculate the average structure (take a look to the manual). However note that average structure could be a non relevant structure, i.e. the average could represent an imposible conformation. So maybe you can also give a try to g_cluster and look for the central conformation. Good look.
Daniel 2011/3/3 ajanihar...@gmail.com <ajanihar...@gmail.com> > Hi everybody, > > I am new user of gromacs. I had run simulation for 1ns and have obtained > all required output files. After comparing and analysing the potential > energy and rms . > > Now i want to know how to find out the average protein structure between > 1ps to 1000ps. > > Please help me. > > With regards. > > Sent from my Nokia phone > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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