Re: AMBER: problem to center solvateshell

From: David A. Case <>
Date: Mon, 2 Oct 2006 09:01:44 -0700

On Fri, Sep 29, 2006, Bonnet, Pascal [PRDBE] wrote:

> How is it possible to solvate only the ligand in the complex using the
> command "solvateshell"?

I don't think it is possible to do this. It is not clear why the solvateCap
option doesn't meet your needs.


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Received on Wed Oct 04 2006 - 06:07:12 PDT
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