[gmx-users] short range electrostatic cutoff

[Adam Rettig]

Hi all,

I'm trying to find a way to prevent infinite attractive forces between
oppositely charged particles in my system using a purely coulombic
potential (without using a LJ potential). Does gromacs provide a way to
cutoff coulomb potential at short range, i.e. below a certain radius, the
coulombic potential stays constant instead of decreasing to negative
infinity? I can't seem to find any options that would do this.


Thanks,
Adam