[AMBER] query antechamber-reg

From: Revthi Sanker <revthi.sanker.yahoo.com>
Date: Fri, 14 Sep 2012 21:05:46 +0800 (SGT)

Dear amber users,
I am facing problems in using the antechamber utility in amber. I have done charge calculation using gaussian and trying to generate the prepi file with my gaussian output. Unfortunately, antechamber is not able to read the charge from the gaussian output file.I have used the following antechamber command -
 
antechamber -i gaussian.log -fi gout -o gaussian.prepin -fo prepi -c esp

Awaiting your valuable comments

Thanks in advance.
Revthi
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Received on Fri Sep 14 2012 - 06:30:03 PDT
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