[gmx-users] problem with FeS cluster

[Justin A. Lemkul]

subarna thakur wrote:
> Hello user
> Can anybody please tell me how to prepare a topology file for the FES4 
> cluster incorporated in a protein
>  

I passed along some useful information to you yesterday.  There is no easy 
answer.  To do so would involve a large amount of work, in any case, if it is 
even possible to model this species using a standard MM force field.

-Justin

> Subarna
> 
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-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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