[gmx-users] charged lipids

Marc F. Lensink lensink at scmbb.ulb.ac.be
Fri Oct 13 11:34:20 CEST 2006

On Fri, Oct 13, 2006 at 02:24:49AM -0700, Alan Dodd wrote:
> I've been searching through the Gromacs files, site
> etc looking to see if anyone has used charged lipids
> in a simulation and can't find any evidence of this. 
> I don't see any reason why this should be impossible
> to do, granted there'll need to be a fair few
> counterions, but I'm not intending to do a pure
> bilayer, just dope the existing one with a few
> negative charges.  And a high concentration of ions
> near the membrane is not entirely unrealistic, I
> believe.  So does anyone know of any gromacs stuff
> using negative lipids, or alternatively a reason why
> this hasn't been done?

i have done simulations with mixed bilayers, containing popc and a
fraction of popg, pops, or popa.  i cannot imagine being the only one
to have done that.


Marc F. Lensink           http://www.biochem.oulu.fi/~lensink/
Centre for Structural Biology and Bioinformatics         SCMBB
Université Libre de Bruxelles          lensink at scmbb.ulb.ac.be
Boulevard du Triomphe - CP 263, B-1050 Brussels, Belgium
tel: +32 2 650 5411  secr: +32 2 650 2013  fax: +32 2 650 5425

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