forked from lijiext/lammps
28 lines
550 B
Plaintext
28 lines
550 B
Plaintext
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units real
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atom_style full
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pair_style lj/cut/coul/cut 10.0 8.0
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bond_style harmonic
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angle_style harmonic
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dihedral_style harmonic
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improper_style harmonic
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read_data crambin.lammps05
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neighbor 2.0 bin
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neigh_modify delay 5
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timestep 2.0
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thermo_style multi
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thermo 50
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fix 1 all nvt 275.0 275.0 100.0
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# fix 2 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
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# group peptide type <= 12
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# dump 1 peptide atom 10 dump.peptide
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run 10000
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