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Radial Distribution Function
The Radial Distribution Function
(RDF) is an effective way of describing the average structure of
disordered molecular systems such as liquids, but it is also helpful when
looking at diordered (and ordered) solids. If you look at the atoms in the MD Engine, you can
see how complicated the structure appears in terms of the atom positions and how
they change withtime. One way
in which we can analyse such structures effectively is to imagine how the
average structure looks from the point of view of a single reference atom;
this average is over time and over the other atoms in the system. The reference
atom is effectively regarded as being in the centre of the structure. This experiment shows
how the RDF is built up over time, during the course of a molecular dynamics
simulation.