[gmx-users] reg g_rdf

Justin A. Lemkul jalemkul at vt.edu
Wed Oct 19 04:20:43 CEST 2011



vidhya sankar wrote:
> Dear justin,
>                     Thanks for you Immediate  reply but When i surf  the 
> following site 
> http://www.linux-support.com/cms/en/component/content/article/12-man-pages/31116-g-rdf-calculates-radial-distribution-functions-man1
> I got he following information
> g_rdf calculates radial distribution functions in different ways. The 
> normal method is around a (set of) particle(s), the other method is 
> around the center of mass of a set of particles. With both methods rdf’s 
> can also be calculated around axes parallel to the z-axis with option -xy
>  it represents what?  i need clarity

I explained this previously.  With the -xy option, only the x- and y-dimensions 
are considered relative to the reference, which makes sense for systems like 
proteins in membranes.

-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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