[gmx-users] rdf problem

[Antonia V.]

Dear all,

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,
Antonia
 		 	   		  
_________________________________________________________________
Hotmail: Trusted email with Microsoft’s powerful SPAM protection.
https://signup.live.com/signup.aspx?id=60969
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100309/900fb46e/attachment.html>