Dear All,
I am a new user to LAMMPS. To start learning the system I have been trying to
run some basic LJ molecular dynamics simulations, playing with the different
options as I go.
I used the following LAMMPS code to make a simulation box and fill it with
atoms.
Typically, you don't want to figure out the box size yourself
for a given LJ reduced density. Rather, put the lattice
command before the region command, and just specify
a number of cubic lattice cells for the region (and simulation box)
size. See the bench/in.lj file for an example.
Your example may not have worked b/c LAMMPS is careful about
placing atoms near periodic boundaries.
Steve