@alevilla thank you for your response! So that is exactly what I have done. What I am wondering about is, what should my value of k (Boltzmann’s constant) be? Plugging in 1.38e-23 seems incorrect. How do the units work? For example, in the 6-9 LJ fluid, they simply plug in 1/r^9 in the C12 column. 1/r^9 has units of 1/(nm)^9, but the units of C12 is 4epsilonsigma^12 has units of kJ/mol(nm)^12