[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
_________________________________________________________________
Hotmail: Trusted email with 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/20100223/47c05fed/attachment.html>
More information about the gromacs.org_gmx-users
mailing list