Hi,
Thank you for the reply. Actually, we get the number of hydrogen bonds in .xvg file using gmx hbond -s prd.tpr -f prd.xtc -n index.ndx -num hbnum.xvg . Can we generate an output file similar to that, which prints the bonding residues of protein and ligand? Thanks, Neha On Fri, Mar 24, 2017 at 8:05 PM, Erik Marklund <erik.markl...@kemi.uu.se> wrote: > Dear Neha, > > Gromacs doesn’t offer that much in terms of viewing. This sounds more like > a PyMol/VMD/Other question. > > Kind regards, > Erik > ______________________________________________ > Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow > Department of Chemistry – BMC, Uppsala University > +46 (0)18 471 4539 > erik.markl...@kemi.uu.se<mailto:erik.markl...@kemi.uu.se> > > On 24 Mar 2017, at 14:33, Neha Gupta <nehaphysic...@gmail.com<mailto: > nehaphysic...@gmail.com>> wrote: > > Hi gromacs users, > > What is the command to view the residues of protein and atoms of ligand > involved in hydrogen bond? > > Thanks, > Neha > -- > 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<mailto:gmx-users-request@ > 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. -- 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.