Re: [AMBER] How to run an antechamber for ligands containing silver [Ag] atom?

From: David A Case <>
Date: Wed, 28 Jan 2015 09:08:29 -0500

On Wed, Jan 28, 2015, Shreeramesh wrote:
> I ran an antechamber for the ligand containing silver salt of carboxylic
> acid.

Antechamber does not handle metal ions; you have to do that by hand.
Presumably(?) you should use antechamber to parameterize the carboxylic
acid anion, and something else (like a literature search, or MCPB) to get
parameters for the silver cation. This would be the correct approach
assuming that the salt is dissociated.

(Scott B, or other developers: can we get antechamber to give more helpful
messages when finding elements it doesn't handle?)


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Received on Wed Jan 28 2015 - 06:30:03 PST
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