AMBER Archive (2005)

Subject: RE: AMBER: script for calculating hydrogen bond

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Jun 27 2005 - 22:04:43 CDT


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

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|\oss Walker

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> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_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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