Re: AMBER: cap simulations questions

From: David A. Case <>
Date: Mon, 18 Jul 2005 09:01:34 -0700

On Mon, Jul 18, 2005, Fabien CAILLIEZ wrote:
> It is also said in the AMBER8 manual that one should use igb=10 to deal
> with CAP simulations. However in chapter 5.16, it is said that this option
> is made for use with a cap of water surrounding the whole molecule.
> Does it mean that one should avoid using this option if only capping a
> part of the molecule ?


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Received on Mon Jul 18 2005 - 17:53:00 PDT
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