On 12.04.2018 11:32, MASATO KOIZUMI wrote:
> Hello. Just following up, I was curious if LAMMPS could perform a
> mu-P-T, i.e. constant chemical potential, constant pressure and constant
> temperature. I am planning to create a dynamic simulation where
> molecules are inserted into the simulation box under isobaric and
> isothermal conditions. I would like to have the volume of the simulation
> box change.
A µ-P-T ensemble isn't a real thermodynamical ensemble. You can figure
that out if you consider the relation of µ and P in an ideal gas.