Re: [gmx-users] Thermostating in NEMD

On 2010-11-27 23.54, Apoorv Kalyankar wrote: Hi, 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

[gmx-users] Thermostating in NEMD

Hi, 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? Thanks. Apoorv Kalyankar Graduate