# PBLA

units		real
atom_style	full
boundary	s s s 

read_data	PBLA10.data

pair_style		lj/charmm/coul/charmm 9.0 12.0
bond_style      harmonic
angle_style		cosine/squared
dihedral_style  charmm

#############################################################
include PBLA_sheet.ff
#############################################################

neighbor		10.0 bin
neigh_modify	delay 5 check yes

timestep		1.0

thermo_style	multi
thermo			100

dump			1 all dcd 100 PBLA10.dcd
dump_modify		1 unwrap yes

#############################################################

minimize	1e-3 1e-3 10000 10000

variable	t equal 300.0
velocity	all create $t 12345 rot yes dist gaussian
fix			1 all nvt temp $t $t 100.0

run			10000