I used the following input file to simulate the thermal conductance of the Al2O3/Bilayer Graphene/Al2O3 structure along the z axis. variable kb equal 8.617333262e-5 variable t equal 300.0 variable th equal 400.0 variable tc equal 200.0 units metal dimension 3 newton on boundary p p p atom_style atomic neigh…

Hi everyone, I have problem in using lammps for investigating water adsorption on MOFs. I want to determine water uptake in mof adsorbent. But I dont know how to determine the number of water molecules corresponding to a relative pressure. In this process the total pressure is atmospheric and a part of this pressure is related to water partial pressure. How can I determine the num…