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The Lennard-Jones 12-6 potential (LJ) is arguably the most widely used pairpotential in Molecular Simulations. In fact, it is so popular that the questionis rarely asked whether it is fit for purpose. In this paper, we argue that,whilst the LJ potential was designed for noble gases such as argon, it is oftenused for systems where it is not expected to be particularly realistic. Underthose circumstances, the disadvantages of the LJ potential become relevant:most important among these is that in simulations the LJ potential is alwaysmodified such that it has a finite range. More seriously, there is by now awhole family of different potentials that are all called Lennard-Jones 12-6,and that are all different - and that may have very different macroscopicproperties. In this paper, we consider alternatives to the LJ 12-6 potentialthat could be employed under conditions where the LJ potential is only used asa typical short-ranged potential with attraction. We construct a class ofpotentials that are, in many respects LJ-like but that are by constructionfinite ranged, vanishing quadratically at the cut-off distance, and that aredesigned to be computationally cheap. Below, we present this potential andreport numerical data for its thermodynamic and transport properties, for themost important cases: cut-off distance rc=2 (LJ-like) and rc=1.2 (a typicalcolloidal potential).

The Lennard-Jones potential: when (not) to use it