GROMOS53a6 Gromacs by XYZ

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Lipid 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC)
Pubchem CID:26197
Forcefield GROMOS53a6
Code Gromacs
Authors A Kukol
Licence fair use
Curator Andreas Kukol

Lipid parameters of Kukol, JCTC 5 (2009), 615: United atom (UA) lipids
were constructed from the GROMOS 53a6 atom types.

Experimental areas per lipid are reproduced to within 3% for DPPC
without application of surface tension, and 1.5% for POPC.

Parameters were copied directly from the supplementary information available from 10.1021/ct8003468 (ct8003468_si_001.zip)

Original README:

The .pdb files contain a snapshot of the lipid bilayer after 40 ns of MD simulation.
The .itp files contain the molecular topology for the GROMOS96 53a6 force field.
They are suitable for use with the GROMACS MD simulation software.

All details about the MD simulation conditions and topologies are in the manuscript.


A Kukol, Lipid Models for United-Atom Molecular Dynamics Simulations of Proteins, J Chem Theory Comput 5 (2009), 615–626, doi: 10.1021/ct8003468, [no pubmed id]
Primary Experimental


Version 1
dmpc_53a6.itp 20dc90f227cee7a3dc14cc8accbacca658ca4935
PDB structure
Bilayer structure
dmpc128_40ns.pdb 8bfeec4eba4a75b1a2bd970b5425fbdda5c15064