[gmx-users] xmgrace-plotting of g_sas output (averages+standarddeviation)

Justin A. Lemkul jalemkul at vt.edu
Wed May 30 13:53:47 CEST 2012

On 5/30/12 7:47 AM, Marc Hömberger wrote:
> Hi,
> when I try the mentioned method for the GROMACs output (xvg file, supposedly
> formatted for use with xmgrace) I am unable to print the standarddeviation. I f
> I select the XYDY method it just ignores it and plots again an XY graph.
> What I then did: I stripped the file so that only residue number (column 1),
> average (column 2) and the standarddeviation (column 3) are in the file (each
> comma seperated by a single space). When i open that in xmgrace and I select the
> XYDY set it is displayed correctly.
> However, this means I have to strip each file. Is there any way I can circumvent
> stripping every single file?

Remove or comment out the "@TYPE xy" line.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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