in principle this could be done, but note that the parameter optimization
and testing has been against aqueous solvent.
On Sun, Mar 18, 2012 at 10:21 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 Sun Mar 18 2012 - 07:30:03 PDT
