[gmx-users] Nose-Hoover Thermostat for Non Equilibrium Simulations

Apoorv Kalyankar apoorvkalyankar at gmail.com
Wed Nov 24 23:05:52 CET 2010


Hello GROMACS users,

I have a questions regarding how a Nose-Hoover thermostat works in non
equilibrium simulations
in GROMACS . If I apply some constant acceleration in the x direction, is
the thermostat applied
to all degrees of freedom or is it applied only in the y and z direction.
Thanks.

Apoorv
Graduate Student
University of Illinois
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