[gmx-users] About membrane leaflets and msd

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Tue Mar 17 20:49:36 CET 2020


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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