AMBER Archive (2008)

Subject: Re: AMBER: Problems for use manganese molecules

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Fri Nov 21 2008 - 06:46:22 CST

On Fri, Nov 21, 2008, vallespardojl_at_chem.leidenuniv.nl wrote:
>
> I think that my problem is similar to Lili's problem. I have installed
> AMBER8 in my Linux machine, and I've followed the tutorials and seems
> that all works ok. But, in my research I'm working with a Mn cluster.

The Amber force fields were designed for organic molecules (primarily
biomolecules) and are not set up for most metal ions. You will need to search
the literature to see if anyone has developed force fields that you could
adapt.

...dac

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