[gmx-users] Error bar for umbrella sampling?

Qing Lv lvqingjiejie at 163.com
Mon Jan 13 15:33:18 CET 2020


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 velocites assigned)?


Thanks,
Qing


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