Re: [AMBER] Is there a way to keep ions fixed in a amber MD?

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 7 Mar 2013 08:48:42 -0500

On Thu, Mar 7, 2013 at 8:39 AM, Changqing Yan <ycqchemical.gmail.com> wrote:

> Dear,
>
> I want to keep my ions fixed in their own position in a MD. Is it possible?
>

Sure. Apply cartesian restraints to them. (The same way you would with a
protein).

Good luck,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Thu Mar 07 2013 - 06:00:03 PST