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variable        T equal 300
units           metal
dimension       3
boundary        p p p
atom_style      full
read_data       silicondioxide.data
pair_style      tersoff
pair_coeff      * * SiO.tersoff O Si
timestep        0.001
thermo          10
velocity        all create $T 38168 rot yes mom yes dist gaussian

dump            1 all custom 1000 dump.silicondioxide.minimize id type x y z  
min_style       cg
minimize        0 0 100000 100000
reset_timestep  0
undump          1

dump            2 all custom 5000 dump.silicondioxide.nvt id type x y z
fix             nvt_relax all nvt temp $T $T 0.1 drag 0.2
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run             100000
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±ÏÒµÂÛÎÄÌâÄ¿£ºStructure and Dynamics of Molecules at Water/Silica and
Water/Carbon Dioxide Interfaces
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2Â¥: Originally posted by hongyingwu at 2018-01-05 09:49:44
https://etd.ohiolink.edu/rws_etd/document/get/osu1290543413/inline

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