Thank you very much for the input Ivan. On Mon, Oct 25, 2010 at 5:46 AM, Ivan Gladich <iglad...@purdue.edu> wrote:
> Dear Amit > As far as I know, 3-body interaction potential is not defined in > gromacs. If you want to introduce it in Gromacs, you have to change the > source code. It is not easy but not impossible and it was already done > for TIP4P, see Kumar and Skinner, J. Phys. Chem. B, 112,8311-8318, 2008 > > I hope this help > Ivan > > Amit Choubey wrote: > > Hi all, > > > > I was wondering if there is a way to define user defined potential which > > involves 3 particles. Thank you for any input. > > > > > > Amit > > > > > > > -- > ------- > Ivan Gladich, Ph.D. > > Dreyfus Postdoctoral Fellow > Department of Chemistry > Purdue University > 560 Oval Drive, box 140 > West Lafayette > IN 47906 USA > > Room: 265C > Tel:765-494-5225 > e-mail: iglad...@purdue.edu > web page: http://web.ics.purdue.edu/~igladich/ > > -------- > -- > 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 >
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