[gmx-users] defining a 3 body user defined potential

[Amit Choubey]

Thank you very much for the input Ivan.

On Mon, Oct 25, 2010 at 5:46 AM, Ivan Gladich <igladich at 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
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> IN 47906 USA
>
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