Hello, Please use the "hbond" utility in gromacs.
gmx hbond [-f [<.xtc/.trr/...>]] [-s [<.tpr/.tpb/...>]] [-n [<.ndx>]][-num [<.xvg>] On Tue, Jun 28, 2016 at 11:24 AM, Amali Guruge <amaligg2...@gmail.com> wrote: > Dear Gromacs users, > > I carried out 20 ns long MD simulation for my receptor-ligand complex using > Gromacs software. Now I want to calculate number of hydrogen bonds formed > in the ligand and receptor corresponding to the residue number. Can anyone > help me? > > > Thank you. > -- > 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. > -- Yours Sincerely, -------------------------- SUBHOMOI BORKOTOKY, Centre for Bioinformatics Pondicherry University Pondicherry,INDIA. Alternate Email: subho...@mails.bicpu.edu.in -- 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.
