Hi Nidhin! I wrote a code some time ago on the the orientation of lipid molecules which was the specific to the problem addressed at http://pubs.acs.org/doi/full/10.1021/bm4011408. If you need, I can share.
Chandan On Thu, May 26, 2016 at 7:50 PM, Nidhin Thomas <nidhin.thomas0...@gmail.com> wrote: > Hi GROMACS Users, > > This question was asked before in the forum. But I could not find a > complete answer. So I’m asking again. Is there any command in GROMACS that > can give the orientation of lipid head groups of all lipids averaged over > time? > > I wrote a code which takes the co-ordinates of P and N atoms at each time > frames and gives the orientation of P-N vector averaged over the time. I > was wondering if there is any command in GROMACS that can provide this data > directly ? > > I used g_sgangle command to obtain the angles of one lipid molecule. But > how do we get the data for all lipids in one file? > > Thanks, > Nidhin Thomas > University of Houston > -- > 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. -- Chandan Kumar Choudhury Post Doctoral Fellow Clemson University South Carolina USA *"All work and no play makes Jack a dull boy...”* -- 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.