Hi, I did by "gmx gangle ..." command. But I am not getting good result, because I have a doubt in ndx file. Can you help me for making ndx file. How should I select the atom for vectors. Thanks
On Mon, Jul 29, 2019, 22:50 David van der Spoel <sp...@xray.bmc.uu.se> wrote: > Den 2019-07-29 kl. 18:26, skrev Omkar Singh: > > Hi, > > Meaning is that If I want to calculate angle between OH, HH and dip > vector > > with positive Z-axis. How can I make index file for this issue? And is it > > possible that the angle distribution of these vectors for bulk water > > aproximatly linear. Hope now question is clear. > Probably. Check gmx gangle -g2 z > > > > Thanks > > > > On Mon, Jul 29, 2019, 16:33 David van der Spoel <sp...@xray.bmc.uu.se> > > wrote: > > > >> Den 2019-07-29 kl. 12:24, skrev Omkar Singh: > >>> Hello everyone, > >>> Is it possible that the probability distribution of HH, OH vector for > >> bulk > >>> water is approximately linear? > >>> > >> What do you mean? > >> > >> -- > >> David van der Spoel, Ph.D., Professor of Biology > >> Head of Department, Cell & Molecular Biology, Uppsala University. > >> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205. > >> http://www.icm.uu.se > >> -- > >> Gromacs Users mailing list > >> > >> * Please search the archive at > >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > >> posting! > >> > >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > >> > >> * For (un)subscribe requests visit > >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > >> send a mail to gmx-users-requ...@gromacs.org. > >> > > > -- > David van der Spoel, Ph.D., Professor of Biology > Head of Department, Cell & Molecular Biology, Uppsala University. > Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205. > http://www.icm.uu.se > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
