Re: Re :AMBER: Holes in water

From: Thomas E. Cheatham, III <>
Date: Sat, 12 Mar 2005 15:20:32 -0700 (Mountain Standard Time)

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

....however, if the restraintmask spans multiple molecules, these will
expand/shrink and could lead to the holes...

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Received on Sat Mar 12 2005 - 22:53:00 PST
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