I managed to run my simulation but which kind of coulomtype can I use except PME? also I get different averages for kinetic and potential energies than before reducing units I think these numbers must be the same because E*=E/epsilon (epsilon is about 0.9977) for argon. could u please help me about this issue?( I have reduced box size, dt, C6=4 , C12=4, mass=1 and temperature. before reducing temperature is 300 and after reducing it is 2.5)
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