#!/bin/sh
echo 'Caution! Works only with %FLAG type prmtop files!'
input=$1
output=$2

if [ ! "$input" ] || [ ! "$output" ]; then echo 'Usage: lmodprmtop input_prmtop output_prmtop'; exit; fi

sed -e '/LENNARD_JONES_ACOEF/,/LENNARD_JONES_BCOEF/ s/0.00000000E+00/1.00000000E+03/g' $input >$output 
