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?
No.
Mark
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