[gmx-users] g_rdf
Justin A. Lemkul
jalemkul at vt.edu
Tue Feb 7 16:21:58 CET 2012
Steven Neumann wrote:
> Hi Gmx Users,
>
> I am interested in RDF of my protein resdiues away from the given point
> in a range of 10 nm. g_rdf provides mi the data for app.5 nm. Is there
> any chance to change it?
>
The range of the RDF is determined by the box size. You can use g_rdf -nopbc to
get an RDF out to 3x the box length.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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