1,2-dilauroyl-sn-glycero-3-phosphocholine
GROMOS43A1-S3
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 |
1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC)
Pubchem CID:512874 |
| Forcefield |
GROMOS43A1-S3 |
| Code |
Gromacs |
| Authors |
Chiu SW, Pandit SA, Scott HL, Jakobsson E |
| Licence |
 |
| Curator |
Oliver Beckstein |
| Abstract |
A new GROMOS43a1-based force field (43A1-S3) for simulation of membranes with the Gromacs simulation package. The validity of the force fields is demonstrated by correct replication of X-ray form factors and NMR order parameters over a wide range of membrane compositions in semi-isotropic NTP 1 atm simulations. 43-A1-S3 compares favorably with other force fields used in conjunction with the Gromacs simulation package with respect to the breadth of phenomena that it accurately reproduces. |
References
Chiu SW, Pandit SA, Scott HL, Jakobsson E, An improved united atom force field for simulation of mixed lipid bilayers., J Phys Chem B
113
(2009),
2748-63, doi: 10.1021/jp807056c, pubmed:19708111 [pubmed] [hubmed]
Primary Experimental
Versions
| Version |
1
|
| Topology |
| dlpc.itp |
80973db54f26e463825fdd0d2aa60efc995f349d |
|
| Parameters |
|
| PDB structure |
|
| Bilayer structure |
|
|
|
