[gmx-users] Born-Mayer-Huggins type pair potential

[Gabriele Lanaro]

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