23 lines
306 B
Plaintext
23 lines
306 B
Plaintext
units lj
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atom_style molecular
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newton off
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pair_style lj/cut 2.5
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bond_style harmonic
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read_data lj_bonds.data
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pair_coeff 1 1 1.0 1.0 2.5
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bond_coeff 1 80.0 1.2
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special_bonds lj 0.2 0.5 0.9
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neighbor 0.3 bin
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neigh_modify delay 0 every 20 check no
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fix 1 all nve
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timestep 0.003
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thermo 100
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run 400
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