[gmx-users] g_analyze with multiple sets

Rebeca García Fandiño regafan at hotmail.com
Fri Jan 14 20:17:38 CET 2011


Thanks a lot for the clarification, now it works perfectly. Sorry for the confusion!
Best wishes,
Rebeca.

> Date: Fri, 14 Jan 2011 13:46:26 -0500
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] g_analyze with multiple sets
> 
> 
> 
> 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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> >  
> > <#>
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> > <#>
> > 
> > 		
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> > <#>
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> > 	
> > <#>
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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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