Re: AMBER: antechamber test

From: David A. Case <case.scripps.edu>
Date: Sun, 8 Aug 2004 09:40:34 -0700

On Sun, Aug 08, 2004, mathew k varghese wrote:

> running /usr/local/amber7/exe/mopac.sh
> ANTECHAMBER_MUL.MOP, ANTECHAMBER_MUL.OUT
> unable to find mopac charges in ANTECHAMBER_MUL.OUT

Have you installed mopac as described in the Installation section in the
Users' Manual? Can you run mopac by hand, using ANTECHAMBER_MUL.MOP
as input? For some versions of mopac, you may need to edit the mopac.sh
file, to provide the proper input and output files; this is discussed in
many places in the mail archives.

....good luck...dac

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Received on Sun Aug 08 2004 - 17:53:00 PDT
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