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

From: Gustavo Seabra <>
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?

Gustavo Seabra.
On Wed, Jan 29, 2020 at 3:26 PM MENDOZA Cesar <>
> Hi Gustavo,
> This is my guess. I have built small molecules, different types with
> 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
> read your inputs.
> Hope this helps
> Best
> Cesar Mendoza
> The University of Edinburgh is a charitable body, registered in Scotland,
> with registration number SC005336.
> _______________________________________________
> AMBER mailing list
AMBER mailing list
Received on Mon Feb 03 2020 - 12:00:02 PST
Custom Search