From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Aug 30 2014 - 01:49:16 CDT
On Sat, Aug 30, 2014 at 1:41 AM, Fatemeh Omidbeygi <fomid403_at_gmail.com> 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.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:11 CST