# script to run the PREPLOT/88 program to convert a MOPAC "graph" file
# into input files for PSI1/88, PSICON/88 and PSI2/88.
if [ "$1" = "" ] ; then
echo 'Usage: "preplot filename " '
# This script assumes the MOPAC graph files are named with the
# file extension ".gpt", if they are named differently; the following
# lines will need to be modified
if [ -f $1.gpt ] ; then
ln $1.gpt fort.13
echo -n 'what is the number of the MO to be plotted? '
echo $ans > tmp
PREPLOT < tmp > /dev/null
rm -f tmp fort.13
mv -f fort.8 $1.psi1
mv -f fort.9 $1.psicon
mv -f fort.10 $1.psi2