Hello!
Please note that xmgrace and gunplot are two different programs and as
such work in different ways, for example in terms of what types of
input and output they expect. The xvg-files that Gromacs produces are
indended for xmgrace, and will not work out-of-the-box with gnuplot.
There are tons of tutorials on the internet on how to use gnuplot, and
I suggest that you start by following a few of those, learning how to
first make some simple toy-plots
Cheers
/Per
6 maj 2008 kl. 15.07 skrev s lal badshah:
Dear Mark,
Hi ! Currently I tried to install xmgrace but the toolbar menue is
not shown on window screen so I am using gnuplot for analysis as I
have little know how about unix/linux.Please set to me the following.
[EMAIL PROTECTED]:~> cd project
[EMAIL PROTECTED]:~/project> ls
#bfac.pdb.1# conf.pdb genion.log md323.tpr pr.edr
topol_A.itp
#rmsf.xvg.1# dist.xvg gyrate.xvg md323.trr pr.gro
topol_B.itp
#topol.top.1# distance.xvg index.ndx md323.xtc pr.log
traj.trr
#traj.trr.1# em.mdp ions.pdb md323lie.xvg pr.mdp
water.pdb
2a5f.pdb em.pdb md323.edr mdout.mdp pr.tpr
bfac.pdb em.tpr md323.gro pe.xvg pr.trr
bonds.xvg ener.edr md323.log posre_A.itp rmsf.xvg
box.pdb energy.xvg md323.mdp posre_B.itp topol.top
[EMAIL PROTECTED]:~/project> gnuplot
G N U P L O T
Version 4.2 patchlevel 0
last modified March 2007
System: Linux 2.6.22.5-31-default
Copyright (C) 1986 - 1993, 1998, 2004, 2007
Thomas Williams, Colin Kelley and many others
Type `help` to access the on-line reference manual.
The gnuplot FAQ is available from
http://www.gnuplot.info/faq/
Send comments and help requests to <[EMAIL PROTECTED]
>
Send bug reports and suggestions to <[EMAIL PROTECTED]
>
Terminal type set to 'x11'
gnuplot> plot "rmsf.xvg" u 1:2 w
^
expecting 'lines', 'points', 'linespoints', 'dots',
'impulses',
'yerrorbars', 'xerrorbars', 'xyerrorbars', 'steps', 'fsteps',
'histeps', 'filledcurves', 'boxes', 'boxerrorbars',
'boxxyerrorbars',
'vectors', 'financebars', 'candlesticks', 'errorlines',
'xerrorlines',
'yerrorlines', 'xyerrorlines', 'pm3d', 'labels', 'histograms',
'image', 'rgbimage'
gnuplot> boxes
^
invalid command
gnuplot> plot lines "rmsf.xvg" u 1:2 w
undefined variable: lines
gnuplot> plot gyrate.xvg
undefined variable: gyrate
gnuplot> plot "gyrate.xvg"
^
Bad data on line 9
gnuplot>
Regards,
Lal badshah
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