Thank you very much for the answer. How we identify residues involving in H bonds? In index file do we have to specify them?
On Tue, Jun 28, 2016 at 11:45 AM, Subhomoi Borkotoky <[email protected]> wrote: > 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 <[email protected]> > 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 [email protected]. > > > > > > -- > Yours Sincerely, > -------------------------- > SUBHOMOI BORKOTOKY, > Centre for Bioinformatics > Pondicherry University > Pondicherry,INDIA. > > Alternate Email: [email protected] > -- > 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 [email protected]. > -- 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 [email protected].
