/tools/fftool

fftool

paduagroup/fftool

187 stars60 forksPythonAdded February 4, 2026
summary

fftool is a Python tool that facilitates the creation of force field input files for molecular dynamics simulations. It supports systems composed of molecules, ions, or extended materials and integrates with various molecular dynamics packages like LAMMPS, OpenMM, and GROMACS.

description

Tool to build force field input files for molecular simulation

topics

molecular-dynamicsforce-fieldlammpspackmol

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