[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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