[gmx-users] g_analyze with multiple sets

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 14 19:46:26 CET 2011



Rebeca García Fandiño wrote:
> Hello,
> I have several files containing two columns, x and y (x is the same for 
> all of them).
> I would like to calculate the average and standar deviation (as the 
> error bar) for the y column for all my data sets.
> I have tried using g_analyze:
> 
> g_analyze -n 3 -av average.xvg -errbar stddev -f set1.xvg & set2.xvg & 
> set3.xvg
> 
> I get several errors:
> set2.xvg: Command not found
> set3.xvg: Command not found
> 
> And also: "Set 2 is horter (0) than the previous set (1775)
> 
> I have seen a similar error in the gromacs list archive, and the problem 
> seemed to be the space before the &. I remove this whitespace and also 
> the space after the &, but I get the same results.
> 
> How could I solve this problem?
> 

g_analyze does not take multiple simultaneous input.  The "&" referred to in the 
help text refers to data sets within the same .xvg file that are separated by &.

-Justin

> Thanks a lot for your help in advance.
> 
> Best wishes,
> 
> Rebeca Garcia
> Postdoctoral student
> Santiago de Compostela University
> Spain
> regafan at hotmail.com
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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