Jan K. Labanowski: Computational Portals for Chemistry  

Abstract Application Descriptor: AAD.xml file

And here is the fragment of our AAD.xml file (version 0.0983.423 {;-)}). This one is for the simple gaussian job runnining on our Origin 2000 machine.
<ApplicationList>
  <application id="GAUSSIAN" installable="yes">
     <target id="origin.ccl.net">
        <status installed="yes"/>
        <installed>
           <CmdLine>
              <Command path="/local/bin/g98"/>
              <Parameters>
                 <arg id="infile1" defaultName="gaussian.inp"/>
              </Parameters>
           </CmdLine>
           <inputFile id="infile1">
             <template path="WEB-INF/Templates/GAUSSIAN/gaussian.inp"/>
           </inputFile>
           <jobScript>
             <template path="WEB-INF/Templates/GAUSSIAN/job.script"/>
           </jobScript>
        </installed>
     </target>
  </application>
</ApplicationList>