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lammps/tools/msi2lmp/test/in.ethane-class1
2ea115cfc2ecefficient_neuronet

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in.ethane-class1
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log log.ethane-class1
units real
atom_style full
pair_style lj/cut/coul/cut 15.0
bond_style harmonic
angle_style harmonic
dihedral_style harmonic
read_data ethane-class1.data
thermo_style multi
minimize 0.0 0.0 100 1000
write_data ethane-class1.data2
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