[gmx-users] Thermostating in NEMD

Apoorv Kalyankar apoorvkalyankar at gmail.com
Sat Nov 27 23:54:34 CET 2010


I was wondering how does a thermostat work in a Non Equilibrium
Simulation(NEMD) in GROMACS.
Does it subtract out the streaming velocity before applying the thermostat
or does it not apply thermostat at all in
the direction of the applied acceleration?

Apoorv Kalyankar
Graduate Student
Mechanical Science and Engineering
Unviersity of Illinois at Urbana-Champaign
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