[gmx-users] Lipid A Topology

[Thomas Piggot]

Hello everyone,

As a follow up to my message last week regarding the addition of 
phospholipid (PC, PE, PG and Cardiolipin) topologies to the Lipidbook 
website, I am happy to announce that we have also added parameters for 
lipid A from E. coli. Lipid A is the lipidic component of 
lipopolysaccharide, which is found in the outer membranes of 
Gram-negative bacteria. If you use these parameters please read and cite 
the following work:

Electroporation of the E. coli and S. aureus Membranes: Molecular 
Dynamics Simulations of Complex Bacterial Membranes
Thomas J. Piggot, Daniel A. Holdbrook, and Syma Khalid
J. Phys. Chem. B 2011, 115 (45), pp 13381–13388
http://pubs.acs.org/doi/abs/10.1021/jp207013v

To access the parameters you can use the following link:

http://lipidbook.bioch.ox.ac.uk/package/show/id/62.html

In addition, these parameters will soon be made available on our group 
website (http://www.personal.soton.ac.uk/sk2x07/index.php), along with a 
structure file for this molecule.

Cheers

Tom Piggot

-- 
Dr Thomas Piggot
University of Southampton, UK.