<options>
    <qmmm help="Executes qmmm calculations for individual molecules and clusters" section="sec:qmmm">
        <print_regions_pdb>true</print_regions_pdb>
        <max_iterations>50</max_iterations>
        <openmp_threads>1</openmp_threads>
        <map_file>system.xml</map_file>
 <job_file>qmmm_mm_jobs.xml</job_file>
        <write_parse>
            <states>n e h s1</states>
        </write_parse>
        
        <regions>
            <region>
                <id>0</id>
                <type>polar</type>
                <options_polar>OPTIONFILES/polar.xml</options_polar>
                <segments>jobfile</segments>
                <cutoff>
                    <geometry>n</geometry>
                    <radius>0.5</radius>
                </cutoff>
            </region>
            <region>
                <id>1</id>
                <type>static</type>
                <cutoff>
                    <relative_to_explicit_segs>true</relative_to_explicit_segs>
                    <geometry>n</geometry>
                    <radius>1.4</radius>
                    <region>0</region>
                </cutoff>
            </region>
        </regions>
    </qmmm>

</options>
