[gmx-users] The time need for each window in umbrella sampling

[faride badalkhani]

Hi,
Thanks for the answer!

Regards,
Farideh

On Sat, Nov 26, 2016 at 11:37 PM, Christopher Neale <
chris.neale at alum.utoronto.ca> wrote:

> block averaging or perhaps reverse cumulative averaging
> http://scitation.aip.org/content/aip/journal/jcp/120/6/10.1063/1.1638996
> (though the later will probably be a pain with PMFs).
> ________________________________________
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of faride
> badalkhani <farideh.khamseh at gmail.com>
> Sent: 26 November 2016 04:50:29
> To: gmx-users at gromacs.org
> Subject: [gmx-users] The time need for each window in umbrella sampling
>
> Dear Gromacs users,
>
> Is there any criteria tk determine tge optimum run time for each window in
> umbrella sampling? My receptor has equilibrated after 30 ns of MD. Should I
> consider the same run time for each window?
>
> Regards,
> Farideh
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