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? Thank you, Gabriele -- 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
