Do you forget to give the system initial velocity? what’s the first temperature output? it should be 300K.
The temperature at 21 step is ZERO? check your dump configure, your particles may not move at all.
Do you forget to give the system initial velocity? what’s the first temperature output? it should be 300K.
The temperature at 21 step is ZERO? check your dump configure, your particles may not move at all.