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

[Christopher Neale]

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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