Professor Carlson from the University of Michigan has a set of tools called
PyPAT available for download on her website (
http://sitemaker.umich.edu/carlsonlab/resources.html) that sound like they
might be able to do what you want.
Good luck!
Jason
On Wed, Nov 4, 2009 at 8:59 AM, Markus Kaukonen <markus.kaukonen.iki.fi>wrote:
> Dear Amber,
>
> What would be the easiest way to plot the total number of hydrogen
> bonds in my system as a function of time?
> (I can specify all H bond donors and acceptors of my system and give
> max distance and max/min angle for a H bond)
>
> Terveisin Markus
>
> --
> --www=http://www.iki.fi/markus.kaukonen
> --Markus.Kaukonen.iki.fi
> --office<http://www.iki.fi/markus.kaukonen%0A--Markus.Kaukonen.iki.fi%0A--office>:
> N102 Nano building FIN-02015 TKK
> --home: Viinirinne 3 F 12, 02630 Espoo, FIN
> --tel: h 045-1242068, w 4518694, 050-5112785
> --Rikos ei kannata, eika maatalous
> --Suomessa. (Paimio 1998) ---
>
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>
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Nov 04 2009 - 06:30:09 PST
