AMBER: How to use antechamber properly?

From: 한재범 <hanjb77.naver.com>
Date: Tue, 03 Jul 2007 14:57:33 +0900

Hello, All!

I used antechamber to make prep file for acetic acid with the command below and I received the error message like this:

/usr/local/amber8/exe/antechamber -i aceticacid.log -fi gout -o aceticacid_g98.prep -fo prepin -c resp





  
 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

I think that it means that esp file was not generated, then what should I do to make esp file?
I used only OPT option when I do the GAUSSIAN computation. Do I have to use additional options for the GAUSSIAN computation?

Thanking you in anticipation.

Jaebeom.

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Received on Wed Jul 04 2007 - 06:07:28 PDT
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