[lammps-users] question about ensemble

Honorific Lammps editorial office :

I am working at thermoelastic coupling molecular dynamics simulation, for one-dimensional rod, I imposed freedom boundary conditions on left edge and fixed boundary boundary on right edge for the x axis, the other two y and z axis imposed all periodic boundary conditions. We imposed hot bath on the left region and cold bath on the right region in x orientation, middle region for the heat flow region. For hot and cold bath, I used for the ensemble nvt, the heat flow for the intermediate region, I should be imposed on this ensemble?

Thanks

Xiaronghou

2009.06.03

Humble LAMMPS user,

I think the answer is NVE.

Steve