[gmx-users] Add new post-processing features in Gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Wed Oct 7 15:33:01 CEST 2009

Tandia, Adama wrote:
> Dears,
> I would like to know if the details of how to add new post-processing
> features in Gromacs had been already discussed or described somewhere.
> I have in mind things like angle distribution, structure factor, and
> incoherent intermediate scattering function, to name a few, for glassy
> materials.

g_angle and g_rdf might already do some of these things.

> Does anyone know of a package that could compute those properties from a
> Gromacs trajectory files?



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