[gmx-users] Nose-Hoover + acc-grps

jwillcox at andrew.cmu.edu jwillcox at andrew.cmu.edu
Thu May 25 20:36:34 CEST 2017


I'm trying to run non-equilibrium simulations in the NVT ensemble with the
"acc-grps" command and the Nose-Hoover thermostat, but I know that there
are ways in which an external acceleration can be incompatible with
Nose-Hoover.  Are these two compatible in the Gromacs code?

Thank you,


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