lammps/bench/POTENTIALS/in.fene

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# FENE beadspring benchmark
units lj
atom_style bond
special_bonds fene
read_data data.fene
neighbor 0.4 bin
neigh_modify delay 5 every 1
bond_style fene
bond_coeff 1 30.0 1.5 1.0 1.0
pair_style lj/cut 1.12
pair_modify shift yes
pair_coeff 1 1 1.0 1.0 1.12
fix 1 all nve
fix 2 all langevin 1.0 1.0 10.0 904297
timestep 0.012
run 100