I Shivangi, There are several ways to calculate the average helicity. If you are using linux you can easily do that with a simple awk / bash script. In windows you can paste the number of residues in helical structure over time in an excel spreadsheet and calculate the average, etc..
I suppose you are using linux and my advice to you is: "try to learn something about awk, sed, bash, etc... before you dive in into more complex things such as a MD simulation". Best regards, Diogo Vila Viçosa shivangi nangia <shivangi.nan...@gmail.com> escreveu no dia Fri Feb 06 2015 at 20:00:41: > Hello gmx-users, > > > I want to calculate the average helicity of a peptide in last 20 ns of the > simulation. > > g_helix is giving % helicity per residue during the specified period of > time. > > Is there a way to do what I wish to calculate. > > Kindly help. > > Thanks, > sxn > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
