[gmx-users] Potential Shift Verlet

Natalie Paige Schieber Natalie.Schieber at colorado.edu
Thu Aug 10 19:44:42 CEST 2017


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?

Thanks,
Natalie


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