modeling nanotube

Dear researchers
I am trying to model a carbon nanotube in lammps.
i want to reach to equilibration in 300k ant 1bar.
so i should use npt ensemble which it imposed periodic boundary condition.
i want to reach to 300k and 1bar in shrink-wrapped boundary condition. the
nvt can not help me.
how i can do it?

Kind Regards

Dear researchers
I am trying to model a carbon nanotube in lammps.
i want to reach to equilibration in 300k ant 1bar.
so i should use npt ensemble which it imposed periodic boundary condition.
i want to reach to 300k and 1bar in shrink-wrapped boundary condition. the
nvt can not help me.
how i can do it?

this sounds much more like a conceptional problem and not at all like
a LAMMPS problem.
do you want to do an isolated nanotube, or a crystal of nanotubes or
some other arrangement?
the answer to that question determines the choice of boundary
condition and integrator/thermostat.

so you should discuss this with your adviser and make an informated
choice. for example, if you do want to study and isolated nanotube,
the choice of pressure has absolutely no meaning at all. and then fix
nvt is a decent choice and fix npt would not make sense at all.

axel.