[gmx-users] Potential Shift Verlet
mark.j.abraham at gmail.com
Mon Aug 14 14:14:38 CEST 2017
I don't think so, because it's trivial - it's defined as the value of the
potential at the distance of the cutoff.
On Thu, 10 Aug 2017 19:44 Natalie Paige Schieber <
Natalie.Schieber at colorado.edu> wrote:
> Hi all,
> I am using the potential-shift-verlet keyword for the coulomb-modifier. I
> am attempting to find the specific equation for this treatment of the
> electrostatics. In the manual for the most recent version of Gromacs I
> found an equation for potential-switch (eq 4.30) but not shift. Is there
> somewhere I can find the corresponding equation for potential-shift?
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