AMBER Archive (2005)

Subject: Re: AMBER: Formatting Questions

From: David A. Case (case_at_scripps.edu)
Date: Mon Feb 21 2005 - 19:33:34 CST

On Mon, Feb 21, 2005, Kara Di Giorgio wrote:

> I'm trying to format a smallish organometallic compound. It contains a
> crown-ether-like organic portion surrounding a Nickel atom. It has
> nitrogen atoms in the crown coordinating with the Nickel.

It's not clear whether you have looked at the crown ether tutorial:

    http://amber.scripps.edu/tutorial/crown_ether/index.html

Even though you have a different ligand and a different metal ion, the
principles should be the same. You will mostly have to do things on your own
here: antechamber might help for the ligand, but it won't know anything
about the metal ion.

...dac

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