AMBER Archive (2007)

Subject: Re: AMBER: modifications to force field for Fe4S4 cubane

From: David A. Case (case_at_scripps.edu)
Date: Tue Dec 04 2007 - 12:57:39 CST

On Wed, Nov 28, 2007, Boutheïna Kerkeni wrote:
>
>
> Would you please send me any parameters of your Fe4S4? Did you also
> parameterize Fe3S4?

Cubane files are in the attached tar file. We have not looked yet at Fe3S4.

...regards...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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