[gmx-users] area per lipid of POPS/POPC mixed bilayer
Catarina A. Carvalheda dos Santos
c.a.c.dossantos at dundee.ac.uk
Fri Mar 11 11:26:17 CET 2016
Maybe you should start by reading some literature on membrane simulations
and POPC/POPS mixtures. You are basically asking GROMACS users to do your
work for you.
If you built the membrane yourself (in opposition to using a
pre-equilibrated membrane patch), at least run it for 100 ns. However,
there is no guarantee that this will be sufficient, as the equilibration
will depend on the convergence of properties like the area per lipid,
volume, thickness (etc...).
So check the literature for experimental data on your lipid mixture and run
some analysis to check how the membrane properties evolve during the
Hope this helps.
On 11 March 2016 at 05:45, kamakshi sikka <kamakshi.sikka at gmail.com> wrote:
> Hello everyone,
> I am running NPT equilibration step of 103POPC/25POPS lipid bilayer.
> Therefore, I want to know what could be the area per lipid of this
> membrane.. I also want to know till what time a membrane should be
> equilibrated so that it become stable?
> Please guide me.
> Thank you!
> Kamakshi Sikka
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Catarina A. Carvalheda
Computational Biology Division
SLS & SSE
University of Dundee
DD1 5EH, Dundee, Scotland, UK
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