[gmx-users] does generating velocity keep centre of mass motion zero?
gauravgoeluta at gmail.com
Fri Jul 30 13:57:51 CEST 2010
I'm doing NVE simulations so I've set comm_mode=None. Now my questions is
regarding the generation of initial velocity with this-
gen_vel = yes
gen_temp = 4000 ; initial temperature
gen_seed = 10234
The reason I do not want to use velocities from the end of my
pre-equilibrated simulation (a NPT simulations followed by NVT simulation to
get desired P,T) is to generate different trajectories by changing gen_seed.
Does the generation of velocities above keep the centre of mass motion zero?
It is important for me since comm_mode=None.
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