[lammps-users] Strange equilibrium temperature

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1

Dear Lammps_users

    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?

Best Regards

Zhenyu Yang
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
  FAX: 010-62579511
[email protected]...
2006-07-18

2

If you are constraining any of the atoms in other ways, then
their contribution to the temperature will be odd. You probably
only want to compute the thermodynamic T on atoms that
are fully free.

Steve