forked from lijiext/lammps
32 lines
724 B
Plaintext
32 lines
724 B
Plaintext
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# Created by charmm2lammps v1.6.2 on Fri Jun 3 14:07:02 MDT 2005
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units real
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neigh_modify delay 2 every 1
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atom_style full
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bond_style harmonic
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angle_style charmm
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dihedral_style charmm
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improper_style harmonic
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pair_style lj/charmm/coul/long 8 10
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pair_modify mix arithmetic
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kspace_style pppm 1e-4
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read_data 1ac7.data
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special_bonds charmm
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fix 1 all nve
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fix 2 all shake 1e-6 500 0 m 1.0 a 93
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velocity all create 0.0 12345678 dist uniform
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thermo 1
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thermo_style multi
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timestep 0.5
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restart 10 1ac7.restart1 1ac7.restart2
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dump 1 all atom 10 1ac7.dump
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dump_modify 1 image yes scale yes
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run 20
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