VMD-L Mailing List

From: martin klvana (martin.mk.klvana_at_gmail.com)
Date: Sun May 16 2010 - 12:39:54 CDT

Hi everybody - I have two questions about RDF:

* How exactly are the values of g(r) calculated?
* When I calculate RDF for water molecules around a protein atom, is
it then possible to quantify how many water molecules are, on average,
located within various distances from the selected atom?

Thanks,
martin