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

From: MENDOZA Cesar <>
Date: Wed, 29 Jan 2020 20:27:36 +0000

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


Cesar Mendoza

The University of Edinburgh is a charitable body, registered in Scotland, with registration number SC005336.
AMBER mailing list
Received on Wed Jan 29 2020 - 12:30:03 PST
Custom Search