cif_file: ''                    # File options
output_cif: false
output_raspa: false
force_field: 'UFF'              # Force field options
mol_ff: null
h_bonding: false
dreid_bond_type: 'harmonic'
fix_metal: false
minimize: false                 # Simulation options
bulk_moduli: false
thermal_scaling: false
npt: false
nvt: false
cutoff: 12.5
replication: null
orthogonalize: false
random_vel: false
dump_dcd: 0
dump_xyz: 0
dump_lammpstrj: 0
restart: false
tol: 0.4                        # Parameter options
neighbour_size: 5
iter_count: 10
max_dev: 0.01
temp: 298.0
pressure: 1.0
nprodstp: 200000
neqstp: 200000
insert_molecule: ""             # Molecule insertion options
deposit: 0

cif_file: ''                    # File options
output_cif: false
output_raspa: false
force_field: 'UFF'              # Force field options
mol_ff: null
h_bonding: false
dreid_bond_type: 'harmonic'
fix_metal: false
minimize: false                 # Simulation options
bulk_moduli: false
thermal_scaling: false
npt: false
nvt: false
cutoff: 12.5
replication: null
dont_replicate_molecules: false
orthogonalize: false
random_vel: false
dump_dcd: 0
dump_xyz: 0
dump_lammpstrj: 0
restart: false
tol: 0.4                        # Parameter options
neighbour_size: 5
iter_count: 10
max_dev: 0.01
temp: 298.0
pressure: 1.0
nprodstp: 200000
neqstp: 200000
insert_molecule: ""             # Molecule insertion options
deposit: 0

Add dont_replicate_molecules parameter for lammps_interface.
Add dont_replicate_molecules parameter for lammps_interface.
