Download our polarizable force field for ionic liquids and deep eutectic solvents based on Drude induced dipoles.
fftool
Our tool to build force field files and initial configurations for molecular dynamics (for LAMMPS, Gromacs, OpenMM).
compute fep for LAMMPS
Package to perform free energy calculations with LAMMPS. Includes core-softed versions of Lennard-Jones and Coulomb potentials, a technique to avoid singularities in many free-energy calculation routes. This has been integrated in the LAMMPS code.
CL&P Force Field for Ionic Liquids
Download the CL&P all-atom force field for molecular simulation of ionic liquids.