# Solvated 5-mer peptide

units		real
dimension	3
atom_style	angle

# read topology and force field
read_data	data.pegc12e8
include		parm.pegc12e8

neighbor	2.0 bin
neigh_modify	delay 5

timestep	5.0
dump            1 all xtc 200 pegc12e8-1.xtc
dump_modify  1 unwrap yes
#dump            2 all dcd 200 pegc12e8-1.dcd unwrap
#dump_modify  2 unwrap yes

velocity all create 303.0 46659 mom yes rot yes dist gaussian

fix		1 all nvt 303.0 303.0 100.0

thermo_style	multi
thermo		200
run		1000
write_restart	pegc12e8-1.restart

