Thank you all, the xmgrace -nxy worked.
but you're right, it's more useful to see the fluctuations. Thanks Carla On Tue, Jun 1, 2010 at 10:02 AM, Erik Marklund <er...@xray.bmc.uu.se> wrote: > Mark Abraham skrev: > > ----- Original Message ----- >> From: Carla Jamous <carlajam...@gmail.com> >> Date: Tuesday, June 1, 2010 17:48 >> Subject: [gmx-users] g_energy & graph .xvg >> To: Discussion list for GROMACS users <gmx-users@gromacs.org> >> >> >> >>> Hi everyone, please I have a practical question that may sound stupid >>> but I can't figure out the answer. >>> >>> When I run g_energy I type the Energies I need, for example: >>> 10 (Potential) >>> 14 (Kinetic) >>> >>> >>> >> 12 (Total) >> >> >>> My problem is even though I get the averages of the 3 energies on my >>> screen, I can't get the three energies on the same graph (.xvg file). >>> >>> >> >> Well they have wildly different values, so plotting all three together >> means you can't see any fluctuations, so you might as well just look at the >> averages... If you want all three with fluctuations, then you'll need to >> play with the plotting program's functionality for representations and axes >> (for xmgrace). See >> http://www.gromacs.org/Documentation/How-tos/Graphing_Data for various >> ideas on plotting. >> >> Mark >> >> > Zooming is of course an option. I for one find it helpful to inspect the > energies as a function of time to get an idea of the convergence time for > certain properties and to detect any wierdness in my setup that may have > ruined my simulations. > > > -- > ----------------------------------------------- > Erik Marklund, PhD student > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: +46 18 471 4537 fax: +46 18 511 755 > er...@xray.bmc.uu.se http://folding.bmc.uu.se/ > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
-- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php