I’m new to lammps, and I tried to modify the friction example in order to just create a 3-D solid surface. However, I’m got a “lost atoms” error.
Input script and error message follow below.
very respectfully,
3d hydrophobic substrate simulation
dimension 3
boundary f f f
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
create geometry
lattice fcc 0.9
region box block 0 50 0 22 -0.25 0.25
create_box 1 box
mass 1 1.0
atom regions
region substrate block EDGE EDGE EDGE EDGE EDGE EDGE
create 3d surface
create_atoms 1 region substrate
LJ potentials
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
define groups
group slab region substrate
set group slab type 1
initial velocities
compute new slab temp/region substrate
velocity slab create 0.1 482748 temp new
fixes
fix 1 all nve
Run
timestep 0.0025
thermo 1000
thermo_modify temp new
dump 1 all atom 500 dump.3dsubstrate
run 20000