From: John Stone (
Date: Wed Feb 15 2012 - 10:17:06 CST

  I assume nobody has a ready-made script that does what you want, but
I expect you should be able to develop your own script for this pretty easily.
I would suggest that you go ahead and try developing a script yourself, and
if you need suggestions on how to improve it, others here may be able to
chime in and give you tips and advice.

  John Stone

On Mon, Feb 13, 2012 at 02:38:11PM -0500, David Cohen-Tanugi wrote:
> Dear All,
> I am following up on an earlier post (to which nobody replied except an
> unhelpful comment about asking Siri) to ask whether anybody have a script
> for calculating the angular distribution function of molecules in a VMD
> trajectory?
> Angular distribution functions are used to map the average angular
> orientation of a molecule (e.g. water) relative to a planar surface as a
> function of spatial position. They are used in papers such
> as here, here and here.
> Many thanks!
> David

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