title DL_POLY: Potassium Chloride Test Case 

temperature  300.0 K
print_frequency  10.0 steps
stats_frequency  10.0 steps
rdf_print ON
rdf_calculate ON
rdf_frequency  10.0 steps
vdw_cutoff  7.0 ang
padding  0.25 ang
cutoff  7.0 ang
coul_method ewald
ewald_precision 1e-06
ensemble nst
ensemble_method hoover
ensemble_thermostat_coupling  0.1 ps
ensemble_barostat_coupling  1.0 ps
time_run  2000.0 steps
time_equilibration  500.0 steps
time_job  3600.0 s
time_close  100.0 s
timestep  0.001 ps
pressure_hydrostatic  40.0 katm
restart continue
rescale_frequency  10.0 steps
traj_calculate ON
traj_start  500.0 steps
traj_interval  100.0 steps
traj_key pos-vel
