[lammps-users] Questin about RDF

Dear all
I have a question about Radial Distribution Function.
I have a LJ system and I am trying to generate RDF of
my system. but I have some problems about it. I red
LAMMPS documentation and I think it can not help me im
my problem. How can I use LAMMPS for computing RDF? I
will be glad if you have another package for RDF.
With the best regards
Hamed Maleki

Hamed Maleki
Physics Department, Faculty of Science,
University of Birjand, Birjand, Iran
  Home Page: http://hamedmaleki2000.googlepages.com

Take a look at the attached sample script. It sets up a LJ simulation,
equilibrates for 50000 timesteps, and then collects statistics every 1000
timesteps for another 10000 timesteps. After you run this script you will
find a file "test.rdf", which contains the RDF for each timestep at which
statistics were collected, as well as the average RDF.

Hope this helps,


test.in (607 Bytes)

Note that the script that Lutz posted uses the "fix rdf"
command - that is what will compute the RDF for