[gmx-users] kappa in Generalized reaction field

[Tomoshi Kameda]

> >
> >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.

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

http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/2005/109/i45/abs/jp051325a.html