Dear, Thanks a lot for your suggestion Justin. I have a box 3 3 20 and want to plot the temperature along the z axis. I did the commands: g_energy -f NVT_20ns.edr -s topol.top -o temp g_analyze -f temp.xvg -dist temp.xvg
and got the results: 281.9 0 282 0.000149997 282.1 0 282.2 0 282.3 0 282.4 0 282.5 0 282.6 0 282.7 0 282.8 0 282.9 0 283 0 283.1 0 283.2 0 283.3 0 283.4 0 283.5 0 283.6 0 283.7 0.000149997 283.8 0 283.9 0 284 0 284.1 0.000149997 284.2 0 284.3 0.000149997 ......... I supposed the first column should start from 0 to 20. Please tell me what's wrong I am doing? Best regards, Cuong On 8 November 2012 01:16, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 11/7/12 11:42 AM, Samadashvili Nino wrote: > >> Hello, >> >> I would like to calculate temperature in my system along the axis. >> Could you please tell me if there is a way to make a temperature histogram >> with Gromacs? >> >> > Use g_energy to extract temperatures from the .edr file, then g_analyze > -dist on that .xvg file. > > -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> > -- 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/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