AMBER Archive (2005)

Subject: Re: AMBER: GB - igb=1 versus dielc=?

From: David A. Case (case_at_scripps.edu)
Date: Thu May 19 2005 - 11:09:47 CDT


On Thu, May 19, 2005, milion_at_c-box.cz wrote:
>
> I would ask you what is the most optimal value of dielc in the protein
> interior. I have a problem with setting up the optimal dielc value for GB
> minimization (igb=1).

The recommended value for intdiel (and the only one that has been tested very
much) is 1.0.

...dac
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