[gmx-users] Difference between Err. Est. And RMSD

jay patil jpatil911 at gmail.com
Tue Jun 20 13:44:36 CEST 2017


Hi all,
When we get averages from energy file using gmx energy -f *.edr
Output shows Average Err.Est RMSD Tot-Drift.
Which one among Err.Est or RMSD should I use to show error bars in the plot. 
By definition I know RMSD, what is formula for Err.Est. 
Please help.

Thanks

Yogesh


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