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? Best Marc On Wed, May 30, 2012 at 6:22 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > On 5/30/12 4:58 AM, Marc Hömberger wrote: > >> Hello, >> >> I am currently analyzing a bunch of trajectories and one thing I am doing >> is to >> use g_sas to generate the average and standard deviation per residue. The >> resulting xvg file should be formatted for use with xmgrace but I do not >> seem to >> be able to get the standard deviation in the graph. I tried searching for >> some >> hints and also looked through xmgrace's manual but there was nothing >> about file >> format where the second column is the standardeviation and how to show >> that in >> the graph. Can anyone of you maybe point me in the right direction on how >> to >> plot the averages plus the corresponding standard deviation? >> >> > In the window for importing data, choose "XYDY" from the "Set type" > dropdown menu. > > -Justin > > > -- > ==============================**========== > > 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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