Re: RDF calculation of crystal system

From: Axel Kohlmeyer (
Date: Sat Aug 30 2014 - 01:49:16 CDT

On Sat, Aug 30, 2014 at 1:41 AM, Fatemeh Omidbeygi <> wrote:
> Dear all users
> I'm trying to simulate CuO supercell crystal in water molecules. I have
> optimized the parameters, but when I run the simulation, radial distribution
> function (RDF) between Cu atoms and Oxygen atoms of water tends to 0.1, can
> anybody please explain this?

can *you* please first explain,
- what your question has to do with NAMD?
- and what "optimized the parameters" means (and which)?
- and how you computed the RDF?

in general, this looks more like something that you should discuss
with your adviser.


> Thanks

Dr. Axel Kohlmeyer
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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