Hello, everyone:
I am trying to do a simulation about deposit. I have some question.Why I can not see the deposit process in VMD? and the temperature gets very high in the caculation. Here is my input file, Thanks very much.
Best,
John
input file:
boundary p p s
units metal
atom_style atomic
neighbor 2.0 bin
neigh_modify delay 1 check yes
create geometry
lattice fcc 3.61
region box block 0 5 0 5 0 20
create_box 1box
create_atoms 1 box
mass 1 63.546
potentials
pair_style eam
pair_coeff * * Cu_u3.eam
region 1 block INF INF INF INF INF 2
region 2 block INF INF INF INF 2 4
region 3 block INF INF INF INF INF 10
group lower region 1
group constant region 2
group newdun region 3
region dep block 0 5 0 5 15 20
group insert region dep
velocity constant create 100 511124 rot yes mom yes
velocity newdun create 100 511124 rot yes mom yes
fix 1 all nvt temp 100.0 100.0 0.01 drag 0.2
run 1500
unfix 1
fix 1 insert nve
fix 2 constant nvt temp 100.0 100.0 2
fix 3 newdun nve
fix 4 lower nve
fix 5 lower setforce 0.0 0.0 0.0
velocity lower set 0.0 0.0 0.0
fix 6 constant temp/berendsen 100 100 1.0
fix 7 insert deposit 1000 1 100 12345 region dep vz -1.0 -1.0
#fix 8 newdun wall/reflect zhi
thermo_style custom step temp etotal
run 1000
dump 1 all atom 1000 dump.lammpstrj
thermo 100
run 6000