[gmx-users] Error bar

[Justin Lemkul]

Again: please keep all discussion on the gmx-users mailing list.  I am CC'ing my 
reply to the list and expect anything further to be asked there.  I do not 
privately advise people on GROMACS or simple tasks like this.

On 1/21/16 9:05 AM, m g wrote:
> Dear Justin,
>
> Did you mean that after calculating the Scd, the output text file must be input
> for g_analyze coomand?
>

No.  You need to calculate the average and error bars for the order parameter of 
each carbon position.  gmx analyze will not give you this, but a simple script 
or spreadsheet will do this.  Refer to any undergraduate statistics book (or 
Google) for performing such analysis for a data set of N values.

-Justin

-- 
==================================================

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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