Hi LAMMPS users and developers,
I am simulating a nanoparticle in water (please find the full input script at the end). For the interaction between water (SPC/E) and the nanoparticle I use the WCA potential. For the long-range electrostatic interaction of the water molecules I use the Wolf method. Therefore, I need hybrid/overlay. The script seems to work, but I am not entirely sure that it really does what it should do. Although the WCA potential is basically a LJ potential, I will use both terms to distinguish between the oxygen-oxygen LJ interaction and the oxygen-nanoparticle LJ (WCA) interaction.
Questions: