*phosphoglycerol

Bondini 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 *phosphoglycerol (*PG)
Forcefield Bondini
Code Gromacs
Authors Scott KA, Bond PJ, Ivetac A, Chetwynd AP, Khalid S, and Sansom MS.
Licence Public Domain Open Knowledge
Curator Benjamin Hall
Abstract

ITP for PG lipids used in Bondini (a coarse grained force field based on SJ Marrink's lipid CG force field (later developed into MARTINI), which includes CG particles for amino acids, including an Nm type to give the backbone residues appropriate hydrophilicity)

References

Scott KA, Bond PJ, Ivetac A, Chetwynd AP, Khalid S, and Sansom MS., Coarse-grained MD simulations of membrane protein-bilayer self-assembly., Structure 16 (2008), 621-30, doi: 10.1016/j.str.2008.01.014, pubmed:18400182 [pubmed] [hubmed]
Primary Experimental

Sansom MS, Scott KA, and Bond PJ., Coarse-grained simulation: a high-throughput computational approach to membrane proteins., Biochem Soc Trans 36 (2008), 27-32, doi: 10.1042/BST0360027, pubmed:18208379 [pubmed] [hubmed]
Primary Experimental

Versions

Version 1
Topology
bond-dppg.itp 4871763610ee1d9358ed067d4308e65234ea6dbe
Parameters
PDB structure
Bilayer structure