[MMTK] question about Langevin dynamics

Konrad Hinsen hinsen@cnrs-orleans.fr
29 Sep 2002 20:20:41 +0200

Fan Gao <Gao.Fan@mayo.edu> writes:

> Hi, all
> I'm new to MMTK and I have a question for LD. What's the strategy for
> LD simulation in MMTK compared with MD?

The LD integrator is a straightforward implementation of an algorithm
described in the book by Allen & Tildesley. It is there mostly as an
example of how to write integrators, I have used it only once for a
specific problem, so I cannot promise that it is robust enough for
general use.

Konrad Hinsen                            | E-Mail: hinsen@cnrs-orleans.fr
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