VMD-L Mailing List

From: Ivan Degtyarenko (imd_at_fyslab.hut.fi)
Date: Mon Sep 04 2006 - 11:31:35 CDT

Dear,

new feature in version 1.8.5 allows to plot radial distribution function.
When one plots atom-atom rdf it is a distribution function for a pair of
the atoms, it is clear, but what the rdf is when one selects a molecule as
'Selection 1' and the rest solvent molecules as 'Selection 2'? Say a case
of a small hydrated peptide, i.e. in both selections are molecules and not
just single atoms.

Thanks in advance for your reply,

YT, Ivan Degtyarenko