Hi User-Gromacs,
I wanted to make a simulation box where in the two lateral side there is graphene sheet and then apply a rigid piston. But I don’t know what to put in the gromacs mdp file so that the pressure changes on both sides like a piston.
You can see picture (this is my simulation box).41598_2017_18688_Fig1_HTML|685x399
Best regards.
Khaireh