On Tue, Sep 22, 2015 at 4:18 AM, Robin Jain <robinjain.chem.gmail.com>
wrote:
> Dear all,
> I have a query that what must be the value of bin size in radial command.
> As RDF depend on bin size, what should i use to get proper result.
>
​Depends on your data set. As with any histogram, the less data you have,
the larger you have to make your bins to get a smooth histogram. The
smaller you can make your bins, the more accurate it will be.
Try a small bin size (~0.5 A, perhaps). If it's too noisy, try increasing
your bin size until you get a reasonable RDF.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Sep 22 2015 - 05:30:07 PDT
