DL_POLY BENCHMARK 7: GRAMICIDIN A JULY 1996 WITH TIP3P WATER SOLVATING

temperature              300.0
steps                     5000
equilibration             2000
timestep                 0.001

cut                       12.0
rvdw                       8.0
delr                       1.0

cap                     1000.0
shake                  0.000001
scale                     5
coulombic

print                     10
stats                     10
collect

job time                 7200
close time                100

finish
