Temperature is not a conserved quantity in an NVE simulation, so you should expect it to change. Make sure you’re appropriately conserving energy by tracking the total energy over time. You may need to use double precision or higher order for LINCS.
Temperature is not a conserved quantity in an NVE simulation, so you should expect it to change. Make sure you’re appropriately conserving energy by tracking the total energy over time. You may need to use double precision or higher order for LINCS.