SPC/E model of water 

integrator velocity verlet
temperature      300.00
ensemble npt hoover 0.1 0.2        

steps           150000
equilibration   100000
multiple step         1
scale                10
print                50
stack               100
stats                10
rdf                   1
traj     1   100  0

timestep         0.001   
cutoff           9.50  
delr width       0.5000
ewald precision 1d-6
shake tolerance  1.0E-5
quaternion tolerance  1.0E-5
print rdf
pres  0.001

job time            150000.00
close time             500.00

finish