RE: AMBER: gaussian output file

From: Junmei Wang <>
Date: Tue, 1 Feb 2005 17:03:22 -0600

Hi, do you require gaussian to output ESP? You may use espgen to produce
ANTECHAMBER.ESP from gaussian output file. If you use antechamber to
generate the guassian input files (gcrt, gzmat), the default gaussian
keyword will produce ESP automatically.



Dear All,

I am new to AMBER. I am using Antechamber in Amber 8. I ran gaussian03
to generate .log file ( I am not sure if this can be used as the input
file). Then I ran

antechamber -i lysine.log -fi gout -o lysine_resp.mol2 -fo mol2 -c resp

The error message came out as

 Amber8 Module: resp

  Unit 10 Error on OPEN: ANTECHAMBER.ESP
 Amber8 Module: resp

  Unit 3 Error on OPEN: qout
Cannot open charge file QOUT , exit

Could anyone tell me what was wrong?


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Received on Tue Feb 01 2005 - 23:53:00 PST
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