[gmx-users] Ionic conductivity

Justin Lemkul jalemkul at vt.edu
Thu Feb 7 19:46:19 CET 2019

On 2/6/19 1:08 PM, Jianna Blocchi wrote:
> Hi thereWhen the ionic conductivity changes during the time!Analysis shows that at different time intervals, the ionic conductivity changes.I divide the production run time to 3 intervals of time. At each of them, I get a different ionic conductivity.What should I do?Thank you

That depends on how you define "different" - is the difference 
statistically meaningful? If it is, it just means your simulation isn't 
converged over time.



Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129


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