AMBER Archive (2006)

Subject: Re: AMBER: problem to center solvateshell

From: David A. Case (case_at_scripps.edu)
Date: Mon Oct 02 2006 - 11:01:44 CDT

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.

...dac

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