Re: Re :AMBER: Holes in water

From: Carlos Simmerling <>
Date: Sat, 12 Mar 2005 13:46:24 -0500

I don't think that this information is correct for Amber8.
npscal=1 is enforced so the solute should not shrink during belly dynamics.

Bill Ross wrote:

>I'm not so familiar with restraints, but if they are cartesian,
>could they be re-expanding the solute? Since solute is scaled
>down during belly dynamics when the box shrinks.
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Received on Sat Mar 12 2005 - 18:53:00 PST
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