[gmx-users] PS_PC system

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 22 18:19:09 CEST 2011

Du Jiangfeng (BIOCH) wrote:
> Dear Gro-users, We made a PSPC(PS:20%, PC: 80%) membrane system. We want all
> the PS In one leaflet but every time after EM and MD, the PS lipids would
> scatter into both leaflets. Anyone knows how to keep PS in one leaflet?

You haven't said you how prepared your membrane in the first place, so it's hard 
to comment beyond just guessing.  If you're hoping that spontaneous 
self-assembly will give you this desired result, I'd say you've got about one 
chance in a million that it will work.

If you want your membrane to have a certain composition and a certain asymmetry, 
build it that way.  Create grids of lipids with genconf and orient them as 
necessary in the unit cell with editconf -rotate/-translate as necessary.  Then 
equilibrate for a long time to remove the artificial crystallinity inherent to 
this approach.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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