AMBER Archive (2006)

Subject: Re: AMBER: protocols for NMR protein refinement with AMBER

From: David A. Case (case_at_scripps.edu)
Date: Mon Apr 10 2006 - 15:55:43 CDT

On Mon, Apr 10, 2006, ohucke_at_lav.boehringer-ingelheim.com wrote:
>
> we would like to use AMBER for protein structure determination based on
> NMR data.
> Could somebody point us to suitable protocols for this purpose, ideally
> including input files that we could adjust for our purposes?
>

It's not clear whether you have looked at the Users' Manual or not. There
are 20-25 pages of information on "NMR refinement using sander" (section 5.20
in the Amber8 manual, section 6.12 in the Amber9 manual). This has lots
of literature references and sample inputs.

If you need more or different information, you will have to ask a more
detailed question, I think. Details generaly depend on what sort of NMR data
you have.

...regards...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu