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[lammps-users] About Truncated Octahedral Simulation Box
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[lammps-users] About Truncated Octahedral Simulation Box

From: "Au3" <474172272@...1204...>
Date: Sun, 27 Aug 2017 01:56:18 +0800

Hi all,

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?

Thank you!