I would imagine someone has made parameters for that, but if not you should
read these two tutorials and you will be able to make our own parameters.
1)
http://ambermd.org/tutorials/advanced/tutorial1_adv/
2)
http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php#12
~Aron
On Sat, Feb 4, 2012 at 10:35 AM, Thomas Exner
<thomas.exner.uni-konstanz.de>wrote:
> Dear AMBER users:
>
> I would like to simulate a heme binding protein. In this protein, the
> heme is coordinated by a his and a tyr. From experimental investigations
> it is clear that the tyr is deprotonated. But unfortunately, I cannot
> find any parameters for the deprotonated tyr. Has anybody out there such
> parameters and is willing to share them.
>
> Thanks.
> Thomas
>
> --
>
> ________________________________________________________________________________
>
> Dr. Thomas E. Exner
> Fachbereich Chemie und Zukunftskolleg
> Universität Konstanz
> 78457 Konstanz
>
> Tel.: +49-(0)7531-882015
> Fax: +49-(0)7531-883587
> Email: thomas.exner.uni-konstanz.de
>
> ________________________________________________________________________________
>
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>
--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Sat Feb 04 2012 - 09:00:02 PST
