Hi,
There was an old post on this list about working with HEME, please follow
this thread
http://archive.ambermd.org/201605/0267.html.
And Cheatham
<
https://www.ncbi.nlm.nih.gov/pubmed/?term=Cheatham%20TE%203rd%5BAuthor%5D&cauthor=true&cauthor_uid=21997754>
et
al in 2012 derive amber compatible HEME parameters
https://www.ncbi.nlm.nih.gov/pubmed/21997754
All the best.
Regards
*Elvis Martis* PhD Student, Bombay College of Pharmacy
[image: photo] Email: elvis_bcp.elvismartis.in <elvis_bcp.elvismartis.in>
Website: http://www.elvismartis.in <http://www.elvismartis.in/>
group website: http://www.profeccoutinho.net.in/
Address:
Kalina, Santa Cruz [E]
, Mumbai, 400 098, INDIA
Alt. e-mail: emartis12.live.com
<
https://in.linkedin.com/in/elvisadrianmartis>
On 3 November 2016 at 01:05, David A Case <david.case.rutgers.edu> wrote:
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> On Wed, Nov 02, 2016, Ramin Ekhteiari wrote:
>
> > Would please advise me on how to generate parameters of HEME residue in
> > a HEME-included protein, using AmberTools.
>
> In addition to what Hai suggested, there are also some HEM parameters in
> the
> contributed parameters database:
>
> http://research.bmh.manchester.ac.uk/bryce/amber
>
> Depends a lot on what sort of heme protein you are talking about....
>
> ...dac
>
>
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Received on Wed Nov 02 2016 - 17:30:02 PDT
