<div dir="ltr"><div>I am running a DFT-MD simulation considering 300 K as the temperature of the system under noose-hoover thermostat. But the simulation process reach to the equilibrium after 3 ps and the kinetic energy values indicate the temperature is around 200 K. I am attaching the particular section of the input herein.</div><div>Â &MD<br>Â Â Â ENSEMBLE NVT<br>Â Â Â STEPS 6000<br>Â Â Â TIMESTEP 0.5<br>Â Â Â TEMPERATURE 300.0<br>Â Â Â &THERMOSTAT<br>Â Â Â Â Â REGION MOLECULE<br>Â Â Â Â Â &NOSE<br>Â Â Â Â Â Â Â LENGTH 3<br>Â Â Â Â Â Â Â YOSHIDA 3<br>Â Â Â Â Â Â Â TIMECON 1000<br>Â Â Â Â Â Â Â MTS 2<br>Â Â Â Â Â &END NOSE<br>Â Â Â &END<br>Â &END MD<br></div><div>I am little confused that why the system is not reaching to the temperature 300 K.Â <br></div></div>