Thank you! This is a very good suggestion.
On Mon, Mar 18, 2013 at 11:49 PM, Dr. Vitaly Chaban <vvcha...@gmail.com>wrote: > > Hi! > > I would like to simulate halkali halides in GROMACS by using the > Tosi-Fumi > > potential. > > > > The potential is of this kind (Born Mayer Huggins), with an exponential, > a > > 6th, 8th powers and the coulomb term: > > > > U(r) = Ae^(-r/rho) - C/r^6 -D/r^8 + (q1 q2)/(4 pi eps r) > > > > Did somebody used anything of this kind? Is there a way to use this > > potential in GROMACS? Do you have any suggestions? > > > Tabulate it. > > > Dr. Vitaly Chaban > -- > 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 > -- 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
