AMBER Archive (2009)

Subject: Re: [AMBER] distance-dependent dielectric constant minimization

From: case (case_at_biomaps.rutgers.edu)
Date: Mon Nov 30 2009 - 07:02:11 CST

On Mon, Nov 30, 2009, Rilei Yu wrote:
>
> I want to carry out distance-dependent dielectric constant minimization
> on my system. But I could not find similar operation in the tutorial,
> maybe I missed. Can anyone tell me how to carry out this step?
>
> Can I just add dielc=4r  in the min.in file for that?

For sander/pmemd, look at the "dielc" and "idiel" variables in the Users'
Manual.

For NAB, look at "dielc" and "diel".

...dac

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