Re: [AMBER] MMPBSA with different external Dielectric Constant

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 12 Sep 2016 23:41:56 -0400

On Mon, Sep 12, 2016 at 11:12 PM, Elvis Martis <elvis.martis.bcp.edu.in>
wrote:

> Hello Jason,
> I haven't tried it yet, but wanted to be sure of it is possible. Thanks for
> the reply I will go ahead with the calculations now.
>
> Hello Adrian,
> Thanks for the suggestion. I will anyway try with GB also and see what
> happens.
>

​Modifying the internal dielectric for GB is *not* supported. It's
possible, but not easy because it's not recommended. This topic for GB has
been discussed numerous times before on this list.

HTH,
Jason

-- 
Jason M. Swails
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Received on Mon Sep 12 2016 - 21:00:02 PDT
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