Here are a selection of projects that I have worked on in past.
Generates a Martini 3 model of Fullerene for running the molecular dynamics simulation with the Gromacs simulation package. The script outputs both the structure file (.gro) and a topology file (.itp).
Generates a Martini 3 model of both finite and infinite graphene sheet for running the molecular dynamics simulation with the Gromacs simulation package. The script outputs both the structure file (.gro) and a topology file (.itp).
