The simulation consists of a single graphene oxide particle with a few water molecules. The initial GO nanoparticle has been generated using make graphitics. This video has been made with this script.
Run the input.lammps file using LAMMPS, and visualise the 'dump' output using VMD. If you are new to LAMMPS and VMD, you can find tutorials and instructions here.
If you are new to LAMMPS, you can find tutorials and instructions here.
Feel free to contact me by email if you have inquiries. You can find contact details on my personal page.