Hi Dear lammps users,
I want to run MD simulation in NPT conditions(only Z direction) for system absorbent(in the middle) with gas mixtures on both sides of the absorbent.
I need the lammps command about the field.
I just want to apply pressure in the Z direction (both sides simulation box of absorbent).
I have already written this command for NPT running.
fix 1 all npt temp 293.0 293.0 100.0 aniso 0.0 0.0 1000.0 0.0 0.0 1000.0 1.0 1.0 1000.0
Do you think this command is true?
Thank you in advance for your cooperation.