[gmx-users] RE: Neutralising charge distribution

[van Bemmelen]

Actually, I'd say they're not incorrect, but incomplete (well, for many
systems). There's no mention of the correction terms George was asking
about, only the self correction term is taken into account in those
equations. But they're in the code allright, and a lot can be induced
from the mdp parameters.

Jeroen


>check the equations in the manual, they are correct (famous 
>last words...)
>
>David van der Spoel, Ph.D.