[gmx-users] short range electrostatic cutoff

Adam Rettig ar896 at cornell.edu
Thu Nov 2 21:21:22 CET 2017

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.


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