[gmx-users] Nonequilibrium simulations

jwillcox at andrew.cmu.edu jwillcox at andrew.cmu.edu
Fri May 19 18:25:11 CEST 2017


I am running non-equilibrium simulations using the "acc-groups" command
and the Nose-Hoover thermostat.  I just wanted to confirm that in Gromacs
code this additional acceleration is not considered to contribute to the
temperature when velocities are adjusted.

Thank you!


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