GROMACS version: 2022
GROMACS modification: No
I’m trying to run a simulation with gromacs and I have a question. How do I generate an .itp file with a geometry that is a MoSSe supercell with a H-passivated pore?
I tried to do it via CHARMM-GUI, but I couldn’t make the system with pores, only the system without pores via Nanomaterial Modeler