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

faride badalkhani farideh.khamseh at gmail.com
Sat Nov 26 10:50:31 CET 2016


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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