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.
Best
Junmei
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?
Thanks.
Eric
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Received on Tue Feb 01 2005 - 23:53:00 PST
