[gmx-users] (no subject)
Mark.Abraham at anu.edu.au
Tue Feb 23 23:03:00 CET 2010
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...
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