[gmx-users] kappa in Generalized reaction field

Tomoshi Kameda kameda-tomoshi at aist.go.jp
Tue May 16 07:35:31 CEST 2006

> >
> >Do we want to keep this code at all?
> Good question.
> I think simulating ionic solutions with reaction-field causes large 
> artifacts,
> unless the concentration is very high and the cut-off quite long.
> PME is a much better choice.

Recently, I read a paper, which shows the GRF and PME yielded results
consistent with experiment by using GROMACS ......


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