RE: AMBER: Running Gaussian to get .out files

From: Steve Spronk <>
Date: Thu, 23 Aug 2007 09:05:25 -0400

Hi Lili,


Gaussian can be run like this:


$ g03 < inputfile > outputfile &


Also, you could consider obtaining resp charges using the program RED. I
have had a lot of success with it. It automates the execution of Gaussian
and the program resp, and you don't have to deal with any of the file
conversions yourself.





From: [] On Behalf Of
Lili Peng
Sent: Wednesday, August 22, 2007 4:27 PM
Subject: AMBER: Running Gaussian to get .out files



I am trying to do the Antechamber tutorial on non-standard amino acid
residues (, and I am stuck on
Step 3: Run gaussian to get two output files. Does anyone know how I go
about getting .out files from my .gau files?

Thanks in advance,

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Received on Sun Aug 26 2007 - 06:07:24 PDT
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