[gmx-users] About membrane leaflets and msd

[Kevin Boyd]

Hi,

Yes, that's a reasonable approach. Check out gmx select, if say you know
your center of membrane's z location, you can select for phosphates > that
center point, which will give you your top leaflet.

Kevin

On Tue, Mar 17, 2020 at 12:49 PM Poncho Arvayo Zatarain <
poncho_8629 at hotmail.com> wrote:

> *Message sent from a system outside of UConn.*
>
>
> 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?
>
> Thanks
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