I have a simple water box and used spc/e model to compute the viscosity based on Lammps documents (Green-Kubo model). So, I got nice results and compatible to others.
However, there is a discrepancy for the output result when I create 2 Angstrom gaps at z=0 and z=60 Angestrom. And the viscosity increases as time goes (viscosity should not depend on the shape)
These gaps become important when we have two graphene sheets at z=0 and z=60, since these gaps avoid overlapping of atoms.
Hereby, could you please write any comments how to overcome this challenge for computing correct pressure tensor.
Thanks in advance