If you want to employ implicit methods for non-water solvents, I do
recommend you to employ ALPB
A.
On Mon, Mar 19, 2012 at 5:51 PM, Dean Cuebas
<deancuebas.missouristate.edu>wrote:
> If you want to consider doing explicit PhCl, let me know...
>
> Dean
> --
> Dr. Dean Cuebas, Associate Prof of Chemistry
> deancuebas.missouristate.edu, Ph 417-836-8567 FAX 417-836-5507
> Dept. of Chemistry, Missouri State University
> Springfield, Missouri 65897
>
>
>
>
> On 3/18/12 9:21 AM, "Junjian Miao" <junjianmiao.gmail.com> wrote:
>
> >Hi all,
> >
> >I have a question regarding GB/SA model, is it only suitable to implicit
> >water model? if the solvent used is PhCl, how to set the input parameters
> >in MD input files?
> >
> >Thank you!
> >
> >junjian Miao
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>
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Received on Mon Mar 19 2012 - 10:30:02 PDT
