Rigid piston applied graphene sheet

User discussions
1

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

2

Hi,
Did you find how to apply pressure on piston(graphene sheet) in gromacs?i tried using pull group and acceleration but i am seeing very less water permeance in my system may be i am thinking the problem is pressure applied by piston.
Thanks
Dhondi