input.xml

<simulation verbosity='medium'>
  <output prefix='simulation'>
    <properties filename='out' stride='100'>  [ step, time{picosecond}, conserved, temperature{kelvin}, kinetic_cv, potential ] </properties>
    <trajectory filename='xc' stride='20' format='xyz' cell_units='ase'> x_centroid{ase} </trajectory>
    <trajectory filename='centroid_force' stride='20' format='ase'> f_centroid </trajectory>
    <trajectory filename='physical_force' stride='20' format='ase'> forces_component_raw(1) </trajectory>
    <checkpoint stride='200'/>
  </output>
  <total_steps> 20000 </total_steps>
  <prng>
    <seed>32415</seed>
  </prng>
  <ffsocket name='maceoff23' mode='unix' pbc='false'>
    <address> driver </address>
  </ffsocket>
  <system>
    <initialize nbeads='8'>
      <file mode='pdb'> init.pdb </file>
      <velocities mode='thermal' units='kelvin'> 500 </velocities>
    </initialize>
    <forces>
      <force forcefield='maceoff23' weight='1'> </force>
      <force forcefield='maceoff23' weight='0' nbeads='1'> </force>
    </forces>
    <motion mode='dynamics'>
      <fixcom> True </fixcom>
      <dynamics mode='nvt' splitting='baoab'>
        <timestep units='femtosecond'> 0.50 </timestep>
        <thermostat mode='pile_l'>
          <tau units='femtosecond'> 100 </tau>
        </thermostat>
      </dynamics>
    </motion>
    <ensemble>
      <temperature units='kelvin'> 500 </temperature>
    </ensemble>
  </system>
</simulation>