# graphene

echo both
units	        metal 
atom_style      charge 
boundary p p p
atom_modify map hash
read_data       data.dimer
pair_style coul/wolf 0.3 10.0 
pair_coeff * * 

timestep        1.0 
neighbor        2.0 bin
thermo          1 

group go type 2
group stay type 1
thermo_style custom step etotal 
thermo_modify lost warn

dump		1 all atom 1 coul.lammpstrj

fix A go move linear 0.0 0.0 0.01 units box
fix B all nve
fix C all setforce 0.0 0.0 0.0

run 1100