[gmx-users] rdf not equal to one

Antonia V. antonia_haha at hotmail.com
Tue Feb 23 15:22:09 CET 2010





Dear all,

I am simulating a two component system (which form two completely separated phases) 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?

thank you for your help,
Antonia 		 	   		  
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