[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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>
--
Gromacs Users mailing list
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users
mailing list