Running MD simulations with LAMMPS
In appendix A of my PhD thesis, I share a MATLAB code to get coordinates of carbon atoms in a graphene sheet. The code also generates the data file required for LAMMPS. In addition, I included a sample input and the corresponding output files from LAMMPS. I hope this will be useful for those who would like to learn MD simulations.
Visual Molecular Dynamics (VMD) package can also be used to obtain coordinates of graphene.