GROMOS43a1 Gromacs by XYZ

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Lipid 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC)
Pubchem CID:26197
Forcefield GROMOS43a1
Code Gromacs
Authors Tieleman DP
Licence fair use
Curator Phill Stansfeld

Parameters taken from lipid.itp found at: http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies

DMPC bilayer self-assembled using CG then converted to atomistic by CG2AT. Atomistic bilayer equilibrated though 10 ns of MD.


Berger O, Edholm O, Jähnig F, Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature., Biophys J 72 (1997), 2002-13, doi: 10.1016/S0006-3495(97)78845-3, pubmed:9129804 [pubmed] [hubmed]
Primary Experimental

Tieleman DP, [no doi], [no pubmed id] Notes: (unpublished)
Primary Experimental


Version 1
dmpc-G9643a1.itp f880a38344d79c07565f2ba5aa854217c94ac777
PDB structure
dmpc-structure.pdb 642aa47d3cb2f27164748d904e642891f50cb570
Bilayer structure
dmpc.pdb b1a01bfb70e721baac865c7dbc6ec314a3cf2d22