<simulation verbosity='medium'>
   <initialize nbeads='16'>
      <file mode='pdb'> our_ref.pdb </file>
      <velocities mode='thermal' units='kelvin'> ??? </velocities>
   </initialize>
   <output prefix='tut3_nvt'>
      <properties filename='md' stride='1'> [ step, time{picosecond}, conserved{kelvin}, temperature{kelvin}, potential{kelvin}, kinetic_cv{kelvin}, pressure_cv{megapascal} ] </properties>
      <trajectory filename='pos' stride='100' format='pdb' cell_units='angstrom'> positions{angstrom} </trajectory>
      <checkpoint filename='checkpoint' stride='1000' overwrite='True'/>
   </output>
   <total_steps> ??? </total_steps>
   <forces>
      <socket mode="???">
         <address>localhost</address>
         <port> 31415 </port>
      </socket>
   </forces>
   <ensemble mode='nvt'>
      <thermostat mode='???'>
         <tau units='femtosecond'> ??? </tau>
      </thermostat>
      <timestep units='femtosecond'> ??? </timestep>
      <temperature units='kelvin'>25</temperature>
   </ensemble>
</simulation>
