[gmx-users] radius of gyration

[Justin A. Lemkul]

On 6/11/12 8:40 AM, delara aghaie wrote:
> Dear Justin.
> Thanks for your explanation.
> ............................................................
> In lyzozyme tutorial the radius of gyration has been plooted against simulation
> time (there 1000 ps).
> When I plot the same graph, the horizontal axis is up to 500 (The number of
> frames for data calculation).
> Although, the gyrate.xvg file has gyration data for these 500 frames, how can I
> tell gnuplot to plot gyration versus simulation time (1000 ps)?
>

Are you talking about the tutorial or your own data?  If you are talking about 
the tutorial, then the run should have been for 1 ns.  If there are fewer 
frames, then either the .mdp file was changed to specify less time or the 
simulation stopped prematurely.

If you're talking about your own data, I have no way to know what was expected. 
  You can't plot more frames than are present.  I don't use gnuplot so I can't 
offer you any advice as to how you can manipulate the way the data are displayed.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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