# patchy Buckyball test

units		lj
atom_style	bond

read_data	data.bucky

neighbor	0.4 bin
neigh_modify	every 1 delay 1

mass		1 1.0
mass		2 1.0
mass		3 1.0

pair_style	soft 1.12
pair_coeff	* * 0.0 0.0 1.12
pair_coeff	3 3 0.0 60.0 7.0

neigh_modify	exclude molecule all

#fix		1 all nve
fix		2 all langevin 1.0 1.0 1.0 904297
fix		3 all rigid molecule

thermo          100
timestep	0.012

run		10000
#run		10000

pair_style	lj/cut 1.12
pair_coeff	* * 1.0 1.0 1.12
pair_coeff	* 3 0.0 1.0 1.12
pair_coeff	2 2 1.0 1.0 2.5

dump		1 all atom 10000 tmp.dump
dump_modify	1 image yes

fix		2 all langevin 0.5 0.5 1.0 904297
run		5000000

#fix		2 all langevin 0.1 0.1 1.0 904297
#run		20000

#fix		2 all langevin 0.25 0.25 1.0 904297
#run		1000000

#fix		2 all langevin 0.05 1.0 1.0 904297
#run		50000