AMBER: Question about using antechamber with G03

From: Gustavo Seabra <>
Date: Tue, 15 Aug 2006 11:58:40 -0400

Hi all,

I saw in the manual that we can give antechamber a Gaussian output file for
processing. What kind of data must be present in that file? Also, what kind
of informatin from the file will antechamber really use?

For example:

1. should I ask for the full population analysis, or antechamber will ignore
tha cargs generated by Gaussian?

2. What about force constants? Can antechaber get them from a Gaussian
output file?

Finally, are there any Gaussian keywords that MUST be used when running
Gaussian, to provide antechamber with the correct data?

Thank you very much,

Gustavo Seabra

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Received on Wed Aug 16 2006 - 06:07:21 PDT
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