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 Fri Sep 14 2012 - 07:00:04 PDT
