Example: Simple MD for H2
*************************

"Download MD_hydrogen_longrun.run"

   #!/bin/sh

   $AMSBIN/ams << eor

   Task MolecularDynamics

   MolecularDynamics
       nSteps 1000
       TimeStep 0.1
       InitialVelocities Type=zero
       Preserve Momentum=False AngularMomentum=False
       Thermostat Type=none
       Trajectory SamplingFreq=100
   End

   System
       Atoms [Bohr]
           H  -2.0  0.0  0.0
           H   2.0  0.0  0.0
       End
   End

   Engine DFTB
      Model SCC-DFTB
      ResourcesDir Dresden
      Occupation Strategy=Fermi Temperature=5
      Repulsion
          forcePolynomial true
      End
      DispersionCorrection Auto
   EndEngine

   eor
