Is it possible to use an eam potential?

User discussions
,
1

GROMACS version: 2025.0
GROMACS modification: No

I am comparing performance of LAMMPS and GROMACS program packages by attempting to reproduce LAMMPS results in GROMACS (e.g. melting points of metals), at least qualitatively. Some of the results in LAMMPS are produced using an eam (embedded atom method) potential, but there doesn’t seem to be a way to use eam potentials in GROMACS.

Is Gromacs even compatible with eam potentials, and if yes, how can I import one?

2

No, there is no EAM support in GROMACS.

3

Thank you very much.