Re: [AMBER] MMPBSA with different external Dielectric Constant

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 12 Sep 2016 08:28:21 -0400

On Mon, Sep 12, 2016 at 6:15 AM, Elvis Martis <elvis.martis.bcp.edu.in>
wrote:

> Hello,
> Is it possible to use any value other EXDI = 80 as external dielectric
> constant (for example EXDI = 36; for acetonitrile) for computing binding
> energy with PB?
>

Yes, have you tried? 


-- 
Jason M. Swails
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Received on Mon Sep 12 2016 - 05:30:03 PDT
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