I want to equilibrate my system at 300K by following:
temperature wendu belt full
velocity belt create 300.0 857723 temp wendu
fix 1 all nvt 300.0 300.0 0.1 drag 0.2
But I find my system equilibrate at the temperature of 350K.
And If I change the NVT to "fix 1 all nvt 250.0 250.0 0.1 drag 0.2",
then the system equilibrate at the temperature of 300K.
Why the equilibrium temperature always 50K higher than what I set?
State Key Laboratory of Nonlinear Mechanics (LNM)
Institute of Mechanics, Chinese Academy of Sciences
No.15 Beisihuanxi Road
Beijing 100080, P. R. China