Other MD Codes

Other freely available molecular dynamics codes that can be used alongside LAMMPS for complementary modeling, or that exchange data with it. Want to add one? Drop a file in content/ecosystem/othercodes/ (or email the developers).

AMBER

Biomolecular MD suite — one of the original classic codes in this genre.

CHARMM

Biomolecular MD package — one of the original classic codes in this genre.

NAMD

Scalable parallel MD code for large biomolecular systems.

GROMACS

Fast, widely used MD code, primarily for biological systems.

Tinker

Molecular modeling package geared toward biomolecular systems.

HOOMD-blue

Very fast materials MD code designed to run on GPUs.

NWChem

Combined molecular-dynamics and quantum-chemistry code for many materials.