units           lj
atom_style      atomic

# ERROR: Fix colvars requires an atom map, see atom_modify (src/COLVARS/fix_colvars.cpp:389)
# https://matsci.org/t/problems-with-using-fix-colvars/20910/2
atom_modify     map yes

lattice         fcc 0.8442
region          box block 0 20 0 20 0 20
create_box      1 box
create_atoms    1 box
mass            1 1.0

velocity        all create 1.44 87287 loop geom

pair_style      lj/cut 2.5
pair_coeff      1 1 1.0 1.0 2.5

fix             1 all nve
fix             2 all colvars ../colvars-lj.colvars output colvars-lj-$(part) seed $(part+1)

run             10