> Date: Fri, 24 Feb 2012 15:54:05 -0500
> From: daniel.r.roe.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] Constant Temperature
>
> 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
>
Thank You so much Dan.
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Received on Fri Feb 24 2012 - 13:30:02 PST
