[gmx-users] The Berendsen thermostat does not generate the correct kinetic energy distribution.

[Mijiddorj Batsaikhan]

Dear gmx users,

I want to simulation peptide on membrane. Initial structure was created by
Charmm-gui, and Charmm-gui gave appropriate mdp files. I have a question
about grompp's note.

After energy minimization, I want to NVT equilibration, and grompp gave me
one note as a following

******
  The Berendsen thermostat does not generate the correct kinetic energy
  distribution. You might want to consider using the V-rescale thermostat.
******

How is V-rescale thermostat useful for the simulation?


Mijiddorj