22 lines
535 B
Plaintext
22 lines
535 B
Plaintext
units real
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atom_style atomic
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# data file with one atom type
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read_data data.spce
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pair_style hybrid/overlay table linear 1200 threebody/table
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#pair coefficients
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pair_coeff 1 1 table table_CG_CG.txt VOTCA
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pair_coeff * * threebody/table spce.3b type
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fix 1 all nvt temp 300.0 300.0 200.0
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velocity all create 300 432567 dist uniform loop geom mom yes
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timestep 2.0
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thermo 100
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#dump 2 all custom 100 dump.spce id type x y z fx fy fz
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run 1000
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