Re: AMBER: antechamber: mopac charges

From: David A. Case <>
Date: Wed, 4 Jul 2007 16:27:02 -0700

On Wed, Jul 04, 2007, Neelanjana Sengupta wrote:
> In using amber7 for doing Ross' antechamber tutorial (with sustiva.pdb),
> typing:
> $AMBERHOME/exe/antechamber -i sustiva.pdb -fi pdb -o sustiva.prepin -fo
> prepi -c bcc -s 2
> I get:
> Running: /software/amber7/exe/ ANTECHAMBER_MUL.MOP
> /software/amber7/exe/ line 11: /usr/local/bin/mopac: No such file
> or directory

Please edit /software/amber7/exe/, and have it point to the correct
location of the mopac executable. Amber 7 did not ship with mopac (as I
remember). If you don't have a copy already, you should download the
antechamber package from, and use the
mopac that is included there.

...good luck...dac

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Received on Sun Jul 08 2007 - 06:07:17 PDT
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