[gmx-users] Error estimate for order parameter

Justin Lemkul jalemkul at vt.edu
Thu Jan 21 03:13:59 CET 2016



On 1/20/16 1:31 PM, m g wrote:
> Dear all,How can i calculate the error bar for order parameter in gromacs? which command must be use?
>

As you would any other error bar, by running the analysis over replicate 
simulations or in blocks of time with -b and -e.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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