Dear GROMACS Specialists, Thank you very much from your answer, but I want to know plotting this curve from g_rdf. May I ask you to give me one formula by this command, Please?
Best Regards Sara On 2013-05-09 20:15, Justin Lemkul wrote: > > > On 5/9/13 10:15 AM, mohammad agha wrote: >> >> >> Dear GROMACS Specialist, >> >> I want to plot probability (nm^-1) distribution of micelle selected >> atoms with respect to COM of the micelle (nm). >> with respect to this definition, "Probability was defined as the >> number of instances the selected atom was found within a spherical >> shell of width 0.02 nm at a distance r from the micelle COM divided by >> r", may I ask you to give me one formula to plot of this probability, >> Please? >> for example, to plot of density(nm^-3) with respect to COM of micelle >> (nm), I do as following: >> density = g(r) * (N/V) >> > > It sounds like all you need to do is create a histogram from data > produced by g_dist. You can make the histogram with g_analyze or any > number of other programs. > > -Justin > How about g_rdf? -- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. sp...@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/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 -- 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