Hi DeepaK, You should be aware that excess protons are not floating around freely among a bunch of H2O. Whatever reasoning along this line is physically meaningless (including thinking of a mixture of H3O+, H2O, OH-). This is the realm of QM.
Cheers, Tsjerk On Thu, Oct 10, 2013 at 8:05 AM, Deepak Ojha <alwaysinthem...@gmail.com>wrote: > Dear GMxers, > > I want to simulate the proton transfer reaction in bulk water using > gromacs.I am not aware how to add proton using genion.Is it possible to add > excess protons like other ions.I could not find proton in ions.itp. > > If anybody can guide me about the same. > > Thanks > DeepaK Ojha > School Of Chemistry > > "Selfishness is not living as one wishes to live, it is asking others to > live as one wishes to live" > -- > 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 > -- Tsjerk A. Wassenaar, Ph.D. -- 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
