dlpoly run
temperature  400.15
pressure 0.001
#ensemble nve
ensemble nvt hoover 0.5
integrator leapfrog 
shake 1.0E-08
#quaternion 1.0E-05
steps 20000000
restart
print 1000
stack 1000
stats 1000
#rdf 10 0.1 
timestep 0.0010 
cutoff 16.000 
delr 0.750 
#no elec
#no vdw 
#cap 5
#minim energy 50 1.0
rvdw 16.0000 
ewald precision 1.0E-5 
#print rdf 2000000
traj 1 1000 0
job time 10000000000.0 
close time 120000.00 
finish 

