The Lennard-Jones truncated & shifted (LJTS) potential is an often used alternative to the 'full' Lennard-Jones potential (see Eq. (1)). The 'full' and the 'truncated & shifted' Lennard-Jones potential have to be kept strictly separate. They are simply two different intermolecular potentials yielding different thermophysical properties. The Lennard-Jones truncated & shifted potential is defined as V LJTS ( r ) = { V LJ ( r ) − − V LJ ( r end ) r ≤ ≤ r end 0 r > r end , with V LJ ( r ) = 4 ε ε [ ( σ σ r ) 12 − − ( σ σ r ) 6 ] .