[lammps-users] Pressure control for non periodic boundaries

Dear Lammps user,

I want to control the pressure of a system, but its all sides are non periodic. Please suggest me some solution.



Use NULL for the non periodic dimension. For example, let's say that z is non periodic and you want to keep the pressure in x and y constant around a value $p, you can use:

fix 1 all npt $T T {Tdump} xy $p $p $p p NULL NULL {pdump}

hope this helps,