Hi, As an example, assuming that I have four chains (A,B,C,D) and want to select residue 14 in chains A,B and D
> 1 & r 14 & chain A|1 & r 14 & chain B| 1 & r 14 & chain D 1 is usually the default group 'protein'. If that is not so in your case, substitute it with the appropriate number. I think 3 is for CA atoms. I usually find that > 1 & r 14 Selects residue 14 in all chains in a multi chain protein. Hope that helps. Regards, On Wednesday, November 5, 2014, bharat gupta <bharat.85.m...@gmail.com> wrote: > Hi, > > I want to make an index file for a certain residue, say residue 14 and its > atom CA. I can eaily do that if its a single chain protein, but my protein > contains 10 chains and I don't know how to select residue 14 from each > chain. I tried splitting the protein into chains by using splitch option, > but I don't know how proceed after that. > > > Please help > -- > *Best Regards* > Mn > -- > 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 <javascript:;>. > -- Rajat Desikan (Ph.D Scholar) Prof. K. Ganapathy Ayappa's Lab (no 13), Dept. of Chemical Engineering, Indian Institute of Science, Bangalore -- 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.