I’m a new LAMMPS user and recently working on nanofluids thermal enhancement. I was trying to compute the thermal conductivity of water but was unable to compute it using Langevin or Muller methods. Could please help me in understanding these two methods and also how to compute dO (flux) when the units are in real. I have seen your example files but its in LJ units, so how things will be in real unit.
Thanks for the concern.