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
----------------------------------
Joey Harriman
MSc Computational Chemistry
University of New Brunswick
Room 228
Toole Hall
s808o.unb.ca
476-6543
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Received on Wed Jan 14 2004 - 15:53:07 PST
