AMBER Archive (2008)

Subject: Re: AMBER: Coordinated Zinc

From: David A. Case (case_at_scripps.edu)
Date: Thu Jun 12 2008 - 10:59:42 CDT

On Wed, Jun 11, 2008, Khaled Barakat wrote:
>
> I am trying to use Antechamber to create a prepin file for a zinc ion
> coordinated with 3 cysteine residues and 1 histedine.

Antechamber doesn't know about metals: you need to prepare files for those by
hand. Look for papers on simulations of zinc enzymes: some will provide
details of the force fields they used.

...dac

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