Dear all,
I have two questions:
- I want to add atoms in a prepared system: But there is an error “ERROR: Cannot read_data after simulation box is defined”. The following is the commands. Could anyone tell me how to add atoms in a prepared system?
units metal
dimension 3
boundary p p p
newton on
atom_style molecular
region box block -0.056 44.164 -0.203 41.297 0.159 9999.159 units box
create_box 2 box
mass 1 12
mass 2 1
lattice bcc 3.30254 origin 0 0 0 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
region substrate1 block -0.056 44.164 -0.203 41.297 18.12 28.12 units lattice
create_atoms 1 region substrate1
region substrate2 block -0.056 44.164 -0.203 41.297 30.12 40.12 units lattice
create_atoms 2 region substrate2
pair_style tersoff
pair_coeff * * GaN.tersoff Ga N
read_data data.m-inject1
- When I use the “fix deposite” command. There still an error:
ERROR: Replacing a fix, but new style != old style. I found the explanation about the reason why this error happens. But I still do not know how to correct it. Could anyone help me?
region ad1Region block -0.056 44.164 -0.203 41.297 18.12 28.12 units box
group ad1Region region mobile
region ad2Region block -0.056 44.164 -0.203 41.297 30.12 40.12 units box
group ad2Region region mobile
lattice fcc 1
fix 1 ad1Region deposit 10 1 10 12345 region ad1Region near 2.0 vz -1.0 -1.0
fix 2 ad2Region deposit 10 2 10 12345 region ad2Region near 2.0 vz -1.0 -1.0
Best wishes,
Xiaojing