[gmx-users] The Berendsen thermostat does not generate the correct kinetic energy distribution.
b.mijiddorj at gmail.com
Mon Nov 28 04:47:20 CET 2016
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?
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