AMBER Archive (2007)Subject: Re: AMBER: antechamber: mopac charges
From: David A. Case (case_at_scripps.edu)
Date: Wed Jul 04 2007 - 18:27:02 CDT
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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|