[gmx-users] the changing of velocity in production stage
Mark Abraham
mark.j.abraham at gmail.com
Tue Nov 26 12:05:53 CET 2013
Those are fine. I would equilibrate, then fork to do the generation, and do
a shorter re-equilibration.
On Nov 26, 2013 10:22 AM, "Mahboobeh Eslami" <mahboobeh.eslami at yahoo.com>
wrote:
> hi Dear Gmx Users
> i want to study the changing of velocity in production stage, do i set
> gen_vel= yes, gen_temp = 300 and gen_seed = -1 in all mdp file for
> Equilibration and production or only in production stage? should I
> setother options in the mdp file.
> Thanks a lot
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