1,2-diphytanoyl-sn-glycero-3-phosphocholine

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Lipid	1,2-diphytanoyl-sn-glycero-3-phosphocholine (DPhyPC) Pubchem CID:169428
Forcefield	GROMOS53a6
Code	Gromacs
Authors	D'Rozario R
Licence
Curator	Robert D'Rozario
Abstract	Please check the stereochemistry of the glycerol backbone before simulating! Check the R/S configuration. If it's the correct one you want then go ahead and simulate! I created the bilayer by setting up an 8x8 DPhPC leaflet then copy and rotate by 180 deg to get your bottom layer (all done with a bit of editconf!). You then have a more or less regular looking bilayer- add water, ~40 waters per lipid molecule to the box (solvating the tails of the lipid aswell) then simulated for 10 ns.

References

D'Rozario R, (2009), [no doi], [no pubmed id] Notes: (unpublished)
Primary Experimental

Versions

Version	1
Topology	DPHPC.itp e2d9fb697898ea4a69cd26f63a191d6098b9a483 ffG53a6bonrob.itp 36493d8950b1c75ca0426acd1e5863a04b1382d8 ffG53a6nbrob.itp 4348ee99fdc3e56c2c0ea8ecb7b0e1498ccc53c5 ffG53a6rob.itp 94edd1010f2dee31d67b898d7516a7ca73d8f5bc
Parameters
PDB structure	1-DPhPC.pdb d9de39e5ea3dbffa0b1849b5897f01fa0ddcd89a
Bilayer structure	md.gro 1c85b1336111b58c668f938bca4811b41e56d0c1
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