AMBER Archive (2006)

Subject: AMBER: Question about using antechamber with G03

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Tue Aug 15 2006 - 10:58:40 CDT

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
QTP - UFL

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