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

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

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

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

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

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 -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at