AMBER Archive (2006)

Subject: Re: AMBER: problem to center solvateshell

From: David A. Case (
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.


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to