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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4299 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-06-18 16:57:46 +00:00
parent d8b96e9027
commit aadd0209bf
1 changed files with 7 additions and 2 deletions
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9
examples/micelle/in.micelle
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@ -13,20 +13,25 @@ read_data data.micelle
special_bonds fene special_bonds fene
pair_style soft 1.12246 pair_style soft 1.12246
pair_coeff * * 1.0 20.0 1.12246 pair_coeff * * 0.0 1.12246
bond_style harmonic bond_style harmonic
bond_coeff 1 50.0 0.75 bond_coeff 1 50.0 0.75
velocity all create 0.45 2349852 velocity all create 0.45 2349852
variable prefactor equal 1.0+elapsed*(20.0-1.0)/1000
fix 1 all nve fix 1 all nve
fix 2 all temp/rescale 100 0.45 0.45 0.02 1.0 fix 2 all temp/rescale 100 0.45 0.45 0.02 1.0
fix 3 all enforce2d fix 3 all adapt 1 pair soft a * * prefactor
fix 4 all enforce2d
thermo 50 thermo 50
run 1000 run 1000
unfix 3
# Main run # Main run
pair_style lj/cut 2.5 pair_style lj/cut 2.5