Re: [AMBER] is GB/SA suitable for nonaqueous solvent?

From: Dean Cuebas <deancuebas.missouristate.edu>
Date: Mon, 19 Mar 2012 11:51:28 -0500

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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Received on Mon Mar 19 2012 - 10:00:02 PDT