Force Field for Ionic Liquids and MD tools

The force field for molecular simulation of ionic liquids is available for download from the web pages of Agilio Padua.

Several tools are also available on that page:

  • ilff: force-field parameter database for molecular dynamics simulation of ionic liquids.
  • fftool: a tool to build force field files and initial configurations for molecular dynamics using LAMMPS or DL_POLY.
  • compute fep: methods for free energy calculations with LAMMPS.