43 lines
1.0 KiB
Plaintext
43 lines
1.0 KiB
Plaintext
# Solvated 5-mer peptide CG force field
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pair_style lj/sdk 15.0
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bond_style harmonic
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angle_style harmonic
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special_bonds lj/coul 0.0 0.0 1.0
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mass 1 31.035
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mass 2 44.054
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mass 3 42.081
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mass 4 29.062
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mass 5 54.000
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pair_coeff 1 1 lj9_6 0.4491 3.7130
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pair_coeff 1 2 lj9_6 0.4400 3.8900
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pair_coeff 1 3 lj9_6 0.3650 3.9870
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pair_coeff 1 4 lj9_6 0.3800 3.8400
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pair_coeff 1 5 lj12_4 0.7000 3.9500
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pair_coeff 2 2 lj9_6 0.4050 4.2500
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pair_coeff 2 3 lj9_6 0.3770 4.2740
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pair_coeff 2 4 lj9_6 0.3700 4.1400
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pair_coeff 2 5 lj12_4 0.5700 4.3100
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pair_coeff 3 3 lj9_6 0.4200 4.5060
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pair_coeff 3 4 lj9_6 0.3620 4.3635
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pair_coeff 3 5 lj12_4 0.3400 4.4385
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pair_coeff 4 4 lj9_6 0.3120 4.2210
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pair_coeff 4 5 lj12_4 0.2900 4.2960
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pair_coeff 5 5 lj12_4 0.8950 4.3710
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bond_coeff 1 15.00 2.79
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bond_coeff 2 4.900 3.28
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bond_coeff 3 7.100 3.56
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bond_coeff 4 6.160 3.64
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bond_coeff 5 9.000 3.13
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angle_coeff 1 3.000 131.0
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angle_coeff 2 3.400 132.0
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angle_coeff 3 3.200 146.0
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angle_coeff 4 1.500 172.0
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angle_coeff 5 1.190 173.0
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angle_coeff 6 1.600 172.0
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