Re: [AMBER] mask command issue

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 7 Aug 2013 15:00:29 -0600

Hi,

On Wed, Aug 7, 2013 at 2:18 PM, Massimiliano Porrini
<m.porrini.iecb.u-bordeaux.fr> wrote:
> One question: is there any way to define the distance
> from the centre of mass (or even the geometric centre) of my solute?

Unfortunately no way to do this directly yet (its going on the to-do list...)

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Wed Aug 07 2013 - 14:30:02 PDT