Martini Gromacs by XYZ

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Lipid 1,2-(cis-cis-9,12-octadecadienoyl)-sn-glycero-3-phosphatidylcholine (DUPC)
Forcefield Martini
Code Gromacs
Authors Marrink SJ, Risselada HJ, Yefimov S, Tieleman DP, de Vries AH
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Jan Domanski

Doubly unsaturated DUPC. The lipid can be used in ternary mixture with DPPC and CHOL, which undergoes phase-separation. An example of a mixed and phase-separated bilayer is attached.


files have been taken from http://md.chem.rug.nl/cgmartini/index.php/downloads/force-field-parameters
the DPPC and cholesterol topologies can be found there together with the other martini parameters



Marrink SJ, Risselada HJ, Yefimov S, Tieleman DP, de Vries AH, The MARTINI force field: coarse grained model for biomolecular simulations., J Phys Chem B 111 (2007), 7812-24, doi: 10.1021/jp071097f, pubmed:17569554 [pubmed] [hubmed]
Primary Experimental

Marrink SJ, de Vries AH, Harroun TA, Katsaras J, Wassall SR, Cholesterol shows preference for the interior of polyunsaturated lipid membranes., J Am Chem Soc 130 (2008), 10-1, doi: 10.1021/ja076641c, pubmed:18076174 [pubmed] [hubmed]
Primary Experimental

Risselada HJ, Marrink SJ, The molecular face of lipid rafts in model membranes., Proc Natl Acad Sci U S A 105 (2008), 17367-72, doi: 10.1073/pnas.0807527105, pubmed:18987307 [pubmed] [hubmed]
Primary Experimental


Version 1
dupc.itp 762b44335de380bc491dfff53a2cf784879efb6c
topol.top 46f5b5aa5ce63eca8c0fe0530d32c280c430c4f2
grompp.mdp 5ff0f762a24d4e72b371ebfdd8558c318e11c429
PDB structure
Bilayer structure
raft-mixed.gro fce352ed3e0fcbe9bcbc22230133684ad3e1a11b
raft-separated.gro c24b15f42ce7084e9954a51e851db18a7108841c