Hi, On Tue, Mar 17, 2020 at 11:15 PM Poncho Arvayo Zatarain < poncho_8...@hotmail.com> wrote:
> > > Hello gromacs users: I want to obtain the lateral diffusion for a membrane > with approximately 55 lipids+ions (NA+Cl) but i want to this for each > leaflet of the membrane (outter and inner) and then obtain the average. I > know that i can use gmx msd for lateral diffusion, but i don know how to > know wich lipids are in each leaftlet. ¿How can separate the leaflets to > know wich lipid are in each one? After ¿Can i make an index for each P > molecule in each lipid for example and then use it in the gmx msd? > > yes you can use index file with gmx msd. gmx make_ndx ( http://manual.gromacs.org/current/onlinehelp/gmx-make_ndx.html) or gmx select (http://manual.gromacs.org/current/onlinehelp/gmx-select.html <http://manual.gromacs.org/current/onlinehelp/gmx-select.html?highlight=gmx%20select>)may help to generate the desired index file. Best regards Alessandra > Thanks > -- > 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.
