Re: [AMBER] Help building a model of a 2F-2S protein with MDPB.py

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Mon, 3 Feb 2020 14:46:12 -0500

Hi Cesar,

Thank you so much for your answer. So, just to clarify, that will not be a
problem if I split the iron-sulfur center in two pieces, then?

Thanks,

--
Gustavo Seabra.
On Wed, Jan 29, 2020 at 3:26 PM MENDOZA Cesar <Cesar.Mendoza.ed.ac.uk>
wrote:
> Hi Gustavo,
>
> This is my guess. I have built small molecules, different types with
> MCPB.py. I think you should put all your ligands in one file an all your
> metals in other. That should work fine. If you are using antechamber use
> option   -dr no   to avoid antechamber stop. Fe needs not be treat as Fe
> and then when mol file is generated change to FE in order to allow MCPB.py
> read your inputs.
>
> Hope this helps
>
> Best
>
> Cesar Mendoza
>
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Received on Mon Feb 03 2020 - 12:00:02 PST