Hi,
On Fri, Feb 24, 2012 at 3:48 PM, amir abbasi <amir-abbasi.hotmail.com> wrote:
> I'm using explicit ions in implicit solvent to explore ion dependency of structure, is this a good idea?
> Or i must to do simulations with explicit solvent (because of explicit ions)?
If you want to study ion behavior you should use explicit solvent. The
ion parameters have not been developed with implicit solvent in mind
and vice versa, so you would have to do a lot of extra work to justify
any results you get with implicit solvent model/explicit ions.
-Dan
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Received on Fri Feb 24 2012 - 13:00:04 PST
