Hi,
On Sun, Dec 9, 2012 at 9:08 PM, Nihal Korkmaz <enihalkorkmaz.gmail.com> wrote:
> However I need the /volume vs radius/ data to be able to obtain the
> actual g(r). Any suggestions will be greatly appreciated.
Hi,
As far as I know ptraj should already normalize g(r) properly based on
the particle density (from density <density> keyword or determined
from average volume) and volume of each bin. Is this not happening
correctly in your case?
-Dan
>
> Thanks,
> Nihal
>
> --
> Nihal Korkmaz
>
> Research & Teaching Assistant
> UW-Madison, Biophysics Program
> Member of Qiang Cui Lab
> 1101 University Ave, Rm. 8359
> Madison, WI 53706
> Phone: 608-265-3644,
> Email: korkmaz.wisc.edu
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
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 Wed Dec 12 2012 - 11:00:02 PST
