[gmx-users] Radial distribution function in gromacs

Sergio Manzetti sergio.manzetti at vestforsk.no
Wed Jan 26 10:09:50 CET 2011

Hello every1,
I have a question about interpretation of g_rdf.

I have generated a plot with g_rdf (with -com flag) of a nanoparticle in
water, and it shows an unstable graph (y-axis) the first picoseconds , and
then a smoothing of the curve towards the zero the more r-value on the
x-axis increases. I chose the solvent as a reference group, and the
nanoparticle as a group.

Does this mean that the nanoparticle reaches a stable radial distribution
and thereby converges to a stable ensemble in water?

Best wishes

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