See
http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_eight/index.ht
m
This contains an example for doing H bond analysis on a protein using ptraj.
You should be able to modify it for your micelle system.
WARNING!!! H-bond analysis needs lots and lots of memory...
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
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> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of Vijay Manickam Achari
> Sent: 27 June 2005 19:58
> To: Amber Scrops
> Subject: AMBER: script for calculating hydrogen bond
>
> Dear valued amber users, can anyone help me to show a
> sample script file for calculting hydrogen bond in my
> micelle system in water?
>
> Thank you
> Vijay
>
>
>
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Received on Tue Jun 28 2005 - 04:53:01 PDT
