Dear Jagur,
You could follow the procedure described in J. Chem. Theory Comput. 2010,
6, 2935–2947.
Or take a look at:
http://mayoresearch.mayo.edu/mayo/research/camdl/zinc_protein.cfm
Hector.
> Dear AMBER users,
>
> I am trying to carry out a MD simulation of a protein having a Zinc ion
> with five coordination bonds.
> I would like to ask a question about the parameters for the Zinc.
> Can anyone please let me know, how to prepare the parameters for such type
> of Zinc ion.
> I am using AMBER 11/AmberTools.
>
> Thanks
> Jagur
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>
---------------------------------
Dr. Hector A. Baldoni
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4423789 ext. 157
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Received on Thu May 10 2012 - 17:30:03 PDT
