Date: Wed, 10 Dec 2003 14:08:13 -0400
From: Joey Harriman
Subject: Re: AMBER: MOPAC from antechamber

Hi,

My mopac.sh (for mopac7/mopac8) file reads the following:

#!/bin/csh -f
set job = $1:r
foreach file (out log brz gpt esp ump arc syb end)
if -e $job.$file rm $job.$file
end
if -e $2 rm $2

setenv FOR005 $1
setenv FOR006 $2
setenv FOR009 $job.res
setenv FOR010 $job.den
setenv FOR011 $job.log
setenv FOR012 $job.arc
setenv FOR013 $job.gpt
setenv FOR016 $job.syb
setenv FOR020 $job.ump
setenv SETUP SETUP.DAT
setenv SHUTDOWN $job.end


$AMBERHOME/exe/mopac_7_8.sgi $job <$1

I have had no problems running mopac for amber charge calculations.

-Joey