[AMBER] Is error bar necessary for umbrella sampling?

From: Qing Lv <lvqingjiejie.163.com>
Date: Mon, 13 Jan 2020 22:36:15 +0800 (CST)

Dear All,


I wonder if the error bars are necessary for umbrella sampling in PMF calculation? If yes, how should the error bars be calculated? Need I do 2~3 repeats (with different random initial velocities assigned)?


Thanks,
Qing
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Received on Mon Jan 13 2020 - 07:00:03 PST