[gmx-users] Non Equilibrium MD
apoorvkalyankar at gmail.com
Mon Nov 1 21:27:21 CET 2010
I have two questions regarding non equilibrium MD simulations in GROMACS.
1) If we use a thermostat (with T=300 K), will it subtract the non zero
streaming velocity to maintain the temperature or will it reset the total
2) How do we remove the COM motion only due to thermal noise and keep the
motion due to external force as it is.
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