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example.dpd
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example.dpd
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#
# gen_system.py 10 10 10 0.5
#
# 3000 total sites, 115 lipids of length 13 (phi = 0.498)
#
settings
cell 10.0 10.0 10.0
print_every 1000
step_no 1
ran1 -1
delta_t 0.01
max_steps 25000
sigma 3.0
save_every 1000
kBT 1.0
lambda 0.65
end
sites
w
h
t
end
interactions
h h 35.000
h t 80.000
t t 25.000
w h 15.000
w t 80.000
w w 25.000
end
molecule
name lipid
count 115
site h # 1
site h # 2
site h # 3
site t # 4
site t # 5
site t # 6
site t # 7
site t # 8
site t # 9
site t # 10
site t # 11
site t # 12
site t # 13
bond 1 2 0.700 100.000
bond 2 3 0.700 100.000
bond 4 5 0.700 100.000
bond 5 6 0.700 100.000
bond 6 7 0.700 100.000
bond 7 8 0.700 100.000
bond 9 10 0.700 100.000
bond 10 11 0.700 100.000
bond 11 12 0.700 100.000
bond 12 13 0.700 100.000
bond 3 4 0.700 100.000
bond 3 9 0.700 100.000
angle 1 2 3 3.142 20.000
angle 4 5 6 3.142 20.000
angle 5 6 7 3.142 20.000
angle 6 7 8 3.142 20.000
angle 9 10 11 3.142 20.000
angle 10 11 12 3.142 20.000
angle 11 12 13 3.142 20.000
angle 4 3 9 1.571 3.000
end
molecule
name water
count 1505
site w # 1
end
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