DL_POLY BENCHMARK 6: VALINOMYCIN + K + 1223 SPC WATER MOLECULES                                                
temperature             310.0
pressure                0.0
steps                   5000
equilibration           2000
timestep                0.001

ensemble  nvt hoover    0.5

cutoff                  16.0
primary                 12.0
rvdw                    10.0
delr                    1.20
                                   
print                   10
rdf                     1
print rdf
restart scale

ewald precision         5.d-6
shake tolerance        1.e-8

collect 
stats                  100
stack                  100 

job time                6000
close time              100 

finish





