I've recently begun using LAMMPS and have created a situation that leads to a lack of energy conservation. While using a modified LJ potential I found that fluctuations in PE did not equal fluctuations in KE. I then debugged, eventually stripping the run down to a static box w/ a small timestep using unmodified Lammps code. I still find peculiar movements in the PE on the order 10*delta(KE). Is there a reason for the fluctuations that I have not noticed? I have attached the input file as well as a small graph of the fluctuations.
input-rate-1E-5-nobond-fixvol (1.94 KB)