Molecular dynamics simulation of a slab of initially mixed water and toluene molecules in contact with vacuum. The temperature is maintained at 300K. This video has been made with this script.
Execute the input.lammps file using LAMMPS. Visualize the dump file using VMD.
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.