Example: Single point for multiple xyz files: Bakerset
******************************************************

"Download BakersetSP.run"

   #! /bin/sh


   # In this example you will find how to use amsprep to run a particular job (a
   # single point calculation in this case) for all molecules in the Baker set. The
   # molecules are simply xyz files and contain no ADF specific information.
   # amsreport is used to collect the resulting bonding energies.


   rm -f runset
   for f in $AMSHOME/examples/adf/BakersetSP/Bakerset/*.xyz
   do
       "$AMSBIN/amsprep" -t SP -i 2.5 -b DZ -c Large -r None -m "$f" -j `basename $f .xyz`>> runset
   done

   chmod +x runset
   ./runset

   echo Results
   ls -t -1 *.results/adf.rkf | while read f
   do
       "$AMSBIN/amsreport" "$f" BondingEnergy
   done
   echo Ready
