Slipids/AMBER 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-phosphoglycerol (POPG)
Pubchem CID:9547107
Forcefield Slipids/AMBER
Code Gromacs
Authors Jämbeck JP, Lyubartsev AP
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Joakim Jämbeck

See http://people.su.se/~jjm/Stockholm_Lipids/Home.html for for more details and structure files to download


Jämbeck JP, Lyubartsev AP, Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids., J Phys Chem B 116 (2012), 3164-79, doi: 10.1021/jp212503e, pubmed:22352995 [pubmed] [hubmed]
Primary Experimental

Jämbeck, J. P. M. and Lyubartsev, A. P., An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes, J. Chem. Theory Comput. 8 (2012), 2938–2948, doi: 10.1021/ct300342n, [no pubmed id]
Primary Experimental

Jämbeck, J. P. M. and Lyubartsev, A. P., Another Piece of the Membrane Puzzle: Extending Slipids Further, J. Chem. Theory Comput. doi: 10.1021/ct300777p, [no pubmed id]
Primary Experimental


Version 2
forcefield.ff.zip 7a30a7aaa40b5dca0070efad5ad847c95d662b26
PDB structure
Bilayer structure
Version 1
POPG.itp 10640762f820e831e485b608a995e6aaabdee370
forcefield.ff.zip c2e43f6f7cec2677fe111e486976acd285885c9e
PDB structure
Bilayer structure
POPG_293K.gro 2ae9452619c230ee379d80678564af40406c50af
WebCite:http://people.su.se/~jjm/Stockholm_Lipids/Downloads.html WebCiteID: 6C4LgP3Hk
POPG_303K.gro b0164efd05c86f39274d66b837588fa3410a92df
POPG_323K.gro 0a0cf742bc66b72dd61e3b4df249f1b4a1c0c5b4
POPG_333K.gro ef7f022ddd0b0c2de3af2469f9b8ee43b068669a