Re: AMBER: Input required for RESP

From: FyD <>
Date: Wed, 11 Jul 2007 08:21:42 +0200

Quoting Neelanjana Sengupta <>:

> To calculate the RESP charges in antchamber, the input required is a
> gaussian output file.
> Can this be the output of ANY Gaussian calculation, or is it something
> very specific?

Please see the tutorial .
you will find information about the RESP program.

. you will find many basic
examples in the RESP ESP charge DDataBase to understand RESP inputs.

and . you will find the RESP ESP
charge Devive program (version III) that can help you to interface

I would start using basic examples. Ethanol, DMSO, etc...

regards, Francois

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Received on Sun Jul 15 2007 - 06:07:03 PDT
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