|Date:||Sun, 27 Aug 2017 01:56:18 +0800|
I'm working on a globular protein folding project using LAMMPS. In order to decrease the number of water molecules at the corners of the simulation box and reduce the computational cost, I want to create a truncated octahedral simulation box.
Does anyone know if it is an option in LAMMPS? If it is, how to do that?