[gmx-users] problem with FeS cluster

Justin A. Lemkul jalemkul at vt.edu
Wed Jun 3 13:16:37 CEST 2009

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.


> Subarna
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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


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