Distance of zero between COM of pull_group0 and pull_group1? On Sun, Jul 31, 2011 at 5:46 AM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > Shay Teaching wrote: > >> Dear GROMACS users, >> >> I have recently completed running several PMF-windows. >> After viewing the histrogram file it seems that I need better sampling at >> some positions, but the histogram file starts at z=0. >> Is there any way to prevent g_wham from starting at 0, and instead show >> the real Z-coordinates of the selected-group? >> >> > If it starts at zero, then it means your sampling starts at a distance of > zero along the reaction coordinate. If this is not what you intended, check > your input files. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > 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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