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/mopac.sh ANTECHAMBER_MUL.MOP
> ANTECHAMBER_MUL.OUT
> /software/amber7/exe/mopac.sh: line 11: /usr/local/bin/mopac: No such file
> or directory
Please edit /software/amber7/exe/mopac.sh, 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
http://amber.scripps.edu/antechamber, 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
