[gmx-users] the changing of velocity in production stage

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Tue Nov 26 14:47:58 CET 2013


dear mark
I am very sorry. 
I did not understand your answer. 
please give a clearer answer. 

1)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.

2)should I setother options  in the mdp file?

Thank you very much




On Tuesday, November 26, 2013 2:56 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
 
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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