DL_POLY BENCHMARK2: AMBER 15-PEPTIDE IN 1247 WATERS

temperature             10
equilibration         2000
steps                 5000
timestep             0.001

cutoff                 8.0
rvdw                   8.0
delr                   1.0

reaction field
eps                     78
ensemble nvt berendsen 1.0
cap                10000.0

rdf                     10
print rdf
print                  100

stats                  100
scale                    5

job time              3600
close time             100

finish




