# translate the out file to Gaussian input file
# $1: outfile  
# $2: the headwords of input file
# headwords of input file in /labsuit/etc/headfile_out-txt

gout=$1
gtxt=${gout%.*}.txt

if [ $# == 1 ]
then 
    cat `getbinpath`/../etc/headfile_out-txt>$gtxt
else if [ $# == 2 ]
then
    cat $2>$gtxt
else
    echo "Error input!"
    exit
fi
fi

getxyz $gout>>$gtxt
echo >>$gtxt
echo >>$gtxt

