[gmx-users] g_dist output
jackygrahamez at gmail.com
Tue Mar 9 14:44:17 CET 2010
How come time is always 0.0000000
On Tue, Mar 9, 2010 at 8:16 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> John Shultz wrote:
>> 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
>> # 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
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