On Tue, Nov 24, 2009 at 11:12, Berk Hess <[email protected]> wrote: > Hi, > > If you have N molecules with total volume which is significantly less than > the unit-cell, > as is the case for ions in solvent, the RDF of the N molecules againt > themselves > will converge to (N-1)/N. > > Berk
Hi, thanks for the reminder. It matches well for the system I mentioned. Still, I don't quite see why I get the same behavior for self RDF as well as cross RDF, but I will have a look at this later. Ondrej -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
