Hi Marcelo,
What residues coordinate to the Fe(III) and Zn(II) ions?
Best,
Pengfei
> On Oct 22, 2015, at 10:34 AM, Marcelo Andrade Chagas <andrade.mchagas.gmail.com> wrote:
>
> Dear AMBER of the list,
>
> How to use unbound ion model described in the tutorial:
>
> 12-6-4 LJ-type nonbonded model in the AMBER,
>
> to systems like proteins Fe(III)-M(II) ...M=Zn(II)?
>
> Best regards,
>
> Marcelo
>
> Marcelo Andrade Chagas, MSc
> (PhD student)
> Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
> * http://lqcmm.qui.ufmg.br/
> Departamento de Química da Universidade Federal de Minas Gerais - UFMG
> Tel:(31)3409-5776
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Received on Thu Oct 22 2015 - 08:00:05 PDT
