[gmx-users] rdf problem
antonia_haha at hotmail.com
Tue Mar 9 10:08:39 CET 2010
I am simulating a binary system of two non mixing components (5CB and water using version 4-0-3; the whole equilibrated trajectory is about 300ns).
I want to calculate the rdf of the centers of mass of 5CB using the command
g_rdf -f traj300.xtc -rdf mol_com -o rdf_com_300.xvg -noxvgr.
The problem is that the rdf I am getting does not approach zero at long distances. Is there a way to correct that?
Thank you in advance for your help,
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