Dear lammps users,
Sorry to send a wrong reply email before. I have questions about the energy drift of equilibrating system.
I ran a simulation and the equilibrated at different time-step. However, the energy results of same system show the different energy at different time-step. Then I ran a example script in the lammps example, the energy results of the example system has the similar problem.
I know the "shadow" Hamiltonian may cause various energy results of same system at different time-step. Did the lammps compute the actual Hamiltonian mechanics of the system? Can anybody give any comments?