GROMOS53a6 Gromacs by XYZ

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Lipid 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC)
Pubchem CID:6139
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
dppc_53a6.itp cd2bbeee40b8cd1cda9ad74d14fc29bacf4b4ac3
PDB structure
Bilayer structure
dppc128_40ns.pdb ee848a0f7d6e4ff366074419d669191aec803ec1