[gmx-users] g_dist output

Justin A. Lemkul jalemkul at vt.edu
Tue Mar 9 14:16:19 CET 2010



John Shultz wrote:
> Hello,
> 
> I am seeking clarification on what this output means. I believe it
> says that the x axis is divided into 4 time intervals and they are
> plotted against a y axis that measures total distance along all 3
> dimensional coordinates.
> Am I reading this correctly?
> 

There should be no decomposition of time intervals here.  Distance is plotted 
continuously as a function of time.  The first column is time, then the total 
distance, then each of the x, y, and z components of that distance.

-Justin

> # This file was created Sat Jan 30 00:20:03 2010
> # by the following command:
> # g_dist -f md.gro -s md.tpr -n index.ndx
> #
> # g_dist is part of G R O M A C S:
> #
> # Glycine aRginine prOline Methionine Alanine Cystine Serine
> #
> @    title "Distance"
> @    xaxis  label "Time (ps)"
> @    yaxis  label "Distance (nm)"
> @TYPE xy
> @ view 0.15, 0.15, 0.75, 0.85
> @ legend on
> @ legend box on
> @ legend loctype view
> @ legend 0.78, 0.8
> @ legend length 2
> @ s0 legend "|d|"
> @ s1 legend "d\sx\N"
> @ s2 legend "d\sy\N"
> @ s3 legend "d\sz\N"
>    0.0000000    0.0619448    0.0583303    0.0099401   -0.0183282
> 
> 
> 
> 

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

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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