Hi,
On Tuesday, 6. May 2008 15:07, s lal badshah wrote: > 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 > > Send instant messages to your online friends http://uk.messenger.yahoo.com take a look on your data file less rmsf.xvg first 12 lines or so are without data. It is the header for xmgrace, so you have to ignore them your delete out of the file. You can also analyse the data with the flag -noxvgr, than it will be written without xmgrace header. A good starting point for gnuplot is http://www.gnuplot.info/help.html greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26573 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
