Dear Prof Case,
Thank you for the immediate reply. And I m sorry for the incomplete information. I m herewith attaching my input file.
Thank you.
Revthi
--- On Fri, 14/9/12, David A Case <case.biomaps.rutgers.edu> wrote:
From: David A Case <case.biomaps.rutgers.edu>
Subject: Re: [AMBER] query antechamber-reg
To: "AMBER Mailing List" <amber.ambermd.org>
Date: Friday, 14 September, 2012, 1:58 PM
On Fri, Sep 14, 2012, Revthi Sanker wrote:
> 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
I don't think anyone can help without seeing your input file.
...dac
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Received on Sat Sep 15 2012 - 00:00:03 PDT
