# large_quartz_aveasph_1

units          real
atom_style     full
boundary       p p s

pair_style     lj/charmm/coul/charmm 8.0 12.0 8.0 12.0
dielectric     1.0
pair_modify    tail yes
#special_bonds  0.0 0.0 1.0
bond_style     harmonic
angle_style    harmonic
dihedral_style charmm
improper_style cvff

read_data      large_quartz_aveasph_1.data

group          asphalt molecule 1
group          quartz molecule 2


group          mobile subtract all quartz

########## temp controllers

compute		new3d all temp
compute		new2d all temp/partial 1 1 0

##### equilibrate section