AMBER Archive (2005)

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

• Previous message: David A. Case: "Re: AMBER: Using amber4 generated prep files in amber8?"
• In reply to: milion_at_c-box.cz: "AMBER: GB - igb=1 versus dielc=?"
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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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• Previous message: David A. Case: "Re: AMBER: Using amber4 generated prep files in amber8?"
• In reply to: milion_at_c-box.cz: "AMBER: GB - igb=1 versus dielc=?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]