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
