Enthalpy conversion

Hi, all
I am a LAMMPS new user. I am doing a simulation for 10 molecules of C17H36 using real units. I am going to convert the calculated enthalpy from “thermo” command. Is the unit of enthalpy similar with energy as kCal/mole?
How do I convert it to kJ/kg?

Thank you.


Not just similar, but Enthalpy is output in energy units.
Please make certain that you check out the documentation of the thermo_style command — LAMMPS documentation so you understand what is computed and reported.

Like any other unit conversion. You get the mass of 1 mole of your total system and use the conversion factor for kcal to kJ. See the units command — LAMMPS documentation for that.