1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine

GROMOS-CKP Gromacs by XYZ

The package viewer shows the meta data for the package and the available versions, i.e. the history of the parameters. Note that files can differ between versions, in which case the SHA1 checksum after the filename will differ. You can read and add comments for a particular version through the View discussion button on each version.

If you are the curator of a package (i.e. you added it) and you are logged in then you can also edit the package.

Lipid 1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine (POPC)
Pubchem CID:5497103
Forcefield GROMOS-CKP
Code Gromacs
Authors Piggot TJ, Piñeiro Á, Khalid S.
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Tom Piggot
Abstract

POPC GROMOS-CKP lipid parameters. These lipid parameters can be used with the GROMOS 53A6 and GROMOS 54A7 protein force fields without any modifications to the parameters.


If you use these parameters please read and cite:


Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study. Thomas J. Piggot, Ángel Piñeiro and Syma Khalid. Journal of Chemical Theory and Computation. DOI: 10.1021/ct3003157

References

Piggot TJ, Piñeiro Á, Khalid S., Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study, Journal of Chemical theory and Computation doi: 10.1021/ct3003157, [no pubmed id]
Primary Experimental

Versions

Version 1
Topology
POPC_GROMOS-CKP.itp b274ec22e312f08f7c119b7acd97dcc2be8ffe3b
Parameters
PDB structure
Bilayer structure
md-POPC_200ns.gro 4a0f320abb93eb559dcb740878cc451db4bb348e