Martini 3 model of Graphene
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).
Mar 18, 2025
Martini 3 model of Fullerene
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).
Mar 18, 2025