QuickFF is a Python package developed at the Center for Molecular Modeling (CMM) to quickly derive accurate force fields from ab initio calculations. This website contains all information on how to install and use QuickFF. A detailed description of the methodology used by QuickFF to derive the force fields can be found in the corresponding papers. QuickFF literature […]
This is a 5 minutes introduction to molecular dynamics simulation. Tools to generate initial state for your system: – LAMMPS lattice command: This command creates a 2D or 3D lattice. It supports a number of lattice types.