This depository contains atomistic and coarse-grained simulations of benzene and perylene:
atomistic-simulations: contains atomistic simulations carried out in LAMMPS
coarse-grained-simulations: contains coarse-grained simulations carried out in LAMMPS, using a modified S-function pair potential to describe non-bonded interaction between particles
data: ARDF, RDF and density analysis
LAMMPS-pair: LAMMPS code for pair modified S-function potential interaction