Not easily - a complex geometric criterion is needed to define a multi-molecule H-bonding bridge.
g_hbond can probably be made to do the simple case with 1 bridging water, but anything more complex than that will need the functionality of g_select. Mark On Fri, Nov 30, 2012 at 10:31 AM, Albert <mailmd2...@gmail.com> wrote: > Hello: > > I've got two polar residues which make H-bond directly. However, I found > that this Hbond can be broken by solvent molecules: sometimes there is 1 > water molecule stucked in the middle during the simulation and sometimes 2 > even 3. But those water molecules can bridge this two residues through > Hbonds. So I am just wondering is it possible in Gromacs to make statstics > on the number of water molecule stuck within this two residues? > > thank you very much. > Albert > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
