15 lines
250 B
Plaintext
15 lines
250 B
Plaintext
log log.decane-oplsaa
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units real
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atom_style full
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pair_style lj/cut/coul/cut 15.0
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bond_style harmonic
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angle_style harmonic
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dihedral_style opls
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read_data decane-oplsaa.data
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thermo_style multi
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minimize 0.0 0.0 100 1000
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write_data decane-oplsaa.data2
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