[gmx-users] Regarding g_analyze

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 21 04:16:47 CET 2011

bharat gupta wrote:
> Hi,
> After  completing my simulation , I have generated the potential.xvg 
> file and also I generated the average of the potential for the whole 
> simulation using g_analyze. But when I open the file average.avg I shows 
> me the same graph as that of potential.xvg but with red color.. What I 
> want is a red line averaging the potential value in the potential graph 
> as given in the lysozyme tutorial.

Red indicates the second data set loaded by xmgrace, which in your case sounds 
like it is identical to the first.  The running average you refer to was not 
generated by Gromacs, rather it is an xmgrace function.  Data -> Transformations 
-> Running averages.


> -- 
> Bharat
> Ph.D. Candidate
> Room No. : 7202A, 2nd Floor
> Biomolecular Engineering Laboratory
> Division of Chemical Engineering and Polymer Science
> Pusan National University
> Busan -609735
> South Korea
> Lab phone no. - +82-51-510-3680, +82-51-583-8343
> Mobile no. - 010-5818-3680
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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