GROMOS43a1 Gromacs by XYZ

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Lipid 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC)
Pubchem CID:5364680
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

DOPC 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Tieleman DP, [no doi], [no pubmed id] Notes: (unpublished)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
dopc-G9643a1.itp 26b16963338d824188e2b8836f813b0a81017fc0
PDB structure
dopc-structure.pdb a9b7ceffaa9bd4e07461b3d1f6e259a8a5b6d109
Bilayer structure
dopc.pdb 84e7eba40e940b2c3248f6dd1549f20a2de58ff0