Re: [AMBER] non-bonded parameters for ferric iron and ferrous iron

From: Ken Merz <kmerz1.gmail.com>
Date: Fri, 7 Mar 2014 11:27:05 -0500

Thank you Jason!
Kennie

On Mar 7, 2014, at 11:26 AM, Jason Swails <jason.swails.gmail.com> wrote:

> On Fri, 2014-03-07 at 11:19 -0500, Ken Merz wrote:
>> Hi,
>>
>> The 12-6-4 will be in the next AMBER release,
>
> To add a timeline here, this is projected for sometime next month.
>
> Hope this helps,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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Kenneth M. Merz, Jr.
Director, Institute for Cyber Enabled Research (iCER)
Editor-in-Chief, Journal of Chemical Information and Modeling
Joseph Zichis Chair in Chemistry
Department of Chemistry
Department of Biochemistry and Molecular Biology
Michigan State University
578 S. Shaw Lane
East Lansing, MI 48824-1322

Phone: 517-355-9715 (Chemistry)
                    517-884-2540 (iCER)
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Cell: 814-360-0376

e-mail: kmerz1.gmail.com
http://www.merzgroup.org/
https://icer.msu.edu
iCER Help: https://contact.icer.msu.edu/contact

However, one should bear in mind that a macromolecular refinement against high resolution data is never finished, only abandoned.

George Sheldrick (2008), Acta Crystallogr. D64 112–122.

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Received on Fri Mar 07 2014 - 08:30:05 PST
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