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lammps/tools/msi2lmp/test/in.water-class2b
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in.water-class2b
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log log.water-class2b
units real
atom_style full
pair_style lj/class2/coul/cut 15.0
bond_style class2
angle_style class2
read_data water-class2b.data
thermo_style multi
minimize 0.0 0.0 100 1000
write_data water-class2b.data2
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