#!/bin/csh -f # Please copy this script to mopac.sh and put it in $AMBERHOME/exe # mopac.exe is the executable file of mopac7 and mopac8 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.exe $job <$1 if -e core rm core