On 24/02/2010 12:23 AM, Antonia V. wrote:
Dear all,
I am simulating a two component system and I want to calculate the g(r)
of the centers of mass of the one component.
Using the command,
g_rdf -f traj.xtc -rdf mol_com
I get an rdf which doesn't obtain the value one at long distances. How
can I change that?
Use a better model physics? Simulate longer? You haven't given anywhere
near enough information for us to tell...
Mark
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