Lipid A (P. aeruginosa)

GROMOS53a6 Gromacs by XYZ

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Lipid Lipid A (P. aeruginosa) (Lipid_A)
Forcefield GROMOS53a6
Code Gromacs
Authors Frederico J. S. Pontes, Victor H. Rusu, Thereza A. Soares, and Roberto D. Lins
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Frederico José de Santana Pontes

This file contains the topologies and coordinates of Lipid A (hexa- and pentaacylated species) for Pseudomonas aeruginosa bacteria. The force field is a extension of the GROMOS force field combinated with the 45a4 carbohydrate parameter set and are in the GROMACS format of topologies. These files are expected to be error-free, but please do check them for errors. If you find any issue please drop us an to If you make use of the topologies and/or atomic coordinates for you research, please cite Frederico J. S. Pontes , Victor H. Rusu , Thereza A. Soares, and Roberto D. Lins. J. Chem. Theory Comput., 2012, 8 (10), pp 3830–3838 DOI: 10.1021/ct300084v"


Frederico J. S. Pontes, Victor H. Rusu, Thereza A. Soares, and Roberto D. Lins, The Effect of Temperature, Cations, and Number of Acyl Chains on the Lamellar to Non-Lamellar Transition in Lipid-A Membranes: A Microscopic View, J Chem Theo Comput 8 (2012), 3830–3838, doi: 10.1021/ct300084v, [no pubmed id]
Primary Experimental


Version 1
Topology a3c15ad4bd8bc6c25521a11f2a6c867c4006796c 7d96a9544a03a836eca9add53c2cf17e7734daa5
WebCite: WebCiteID: 6D3Po94Zx
PDB structure
lpa_hexa_paeruginosa.pdb c3f0e967959dcf97ca56ba5b958cd8174fc01d11
lpa_penta_paeruginosa.pdb ef4bf3fdcbc5f9a6f94142673d0d38b05ff4e289
Bilayer structure