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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Oct 04 2006 - 06:07:12 PDT
