I have a system of methane molecules. I am running simulation to calculate transport properties like self diffusion and viscosity using green kubo relation. Many research article says it is an equilibrium md method. How can i come to knnow that whether the system achieve equilibrium?
I minimize the system, then velocity assigned. using NVE fix to make system equilibriate. Can you help me to figure it out?
This is not really a LAMMPS question, but a question about general MD knoweldge.
Thus please consult your MD text book and discuss with your adviser(s) and/or tutor(s).
Also, check out previous discussions on the subject. Like this recent one: How long we should equilibrate