Re: [AMBER] atomicfluct

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 28 May 2013 09:30:30 -0600

Hi,

On Mon, May 27, 2013 at 1:28 PM, George Tzotzos <gtzotzos.me.com> wrote:
> Thank you Daniel. One additional question. I've checked a number of definitions of B-factors and none of the ones that I've seen included the /3 factor. Any suggestions of how is this factored in would be most useful.

The division by 3 is because the total fluctuation of each atom is
averaged over the X, Y, and Z coordinates.

-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)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Tue May 28 2013 - 09:00:02 PDT