Reproduce a documented example before introducing a new interaction model. Check units, boundary conditions, and equilibration behavior, then monitor conserved or diagnostic quantities during the run. Keep input scripts, potential files, and analysis code together, and distinguish numerical convergence from evidence that the chosen physical model represents the material of interest.
This is best suited to researchers simulating molecular or materials systems. Before committing a larger project, account for these trade-offs: force fields require scientific justification; large simulations need substantial compute.
