#!/bin/sh

template=$1
for values in {60,150,240,330}\ {60,150,240,330}\ {60,150,240,330}\ {60,150,240,330}; do
    set $values
    X=$1; Y=$2; Z=$3; M=$4
    mkdir "X$X-Y$Y-Z$Z-M$M"
    cp script ./"X$X-Y$Y-Z$Z-M$M"
    sed "s/X\$/$X/;s/Y\$/$Y/;s/Z\$/$Z/;s/M\$/$M/" "$template" > ./X$X-Y$Y-Z$Z-M$M/"X$X-Y$Y-Z$Z-M$M"
    cd ./X$X-Y$Y-Z$Z-M$M
    babel -igzmat "X$X-Y$Y-Z$Z-M$M" -oxyz coord.xyz
    source $USELIB/tm510
    x2t coord.xyz > coord
    define <<EOF


    a coord
    ired
    *
    *
    eht



    scf
    iter
    300

    dft
    on

    ri
    on

    *
    EOF

    qsub script
    cd ..
done