[gmx-users] what restraint can I use to prevent membrane diffusion along the Z-axis?

Justin A. Lemkul jalemkul at vt.edu
Thu Feb 23 13:17:17 CET 2012

Jose Borreguero wrote:
> I am not referring to any drift of the whole system, but to the 
> diffusion of the lipid bilayer only. Diffusion of molecules in water is 
> to be expected given sufficient time. I wonder what is a reasonable 
> restraint to keep the center of mass of the membrane at Z=0.0

COM motion removal should take care of this.  I do not see how the bilayer would 
be the only species that moves; the water molecules are not static.  They too 
are moving in z along with the membrane.



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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