Data · dataset · 2014
POPC @ 298K, Model by Kukol
Listed in Zenodo
Files required for a simulation of a POPC bilayer and the resulting trajectory.
Description
The POPC model is that by Andreas Kukol [1]. The structure and topology files are downloaded from Lipidbook [2].
This data is used in the project "Matching lipid force fields with NMR data", see: nmrlipids.blogspot.fi [1] A Kukol, Lipid Models for United-Atom Molecular Dynamics Simulations of Proteins, J Chem Theory Comput 5 (2009), 615–626, doi: 10.1021/ct8003468 [2] lipidbook.bioch.ox.ac.uk/package/show/id/15.html
Links
Get the data
- md.mdp zenodo.org/api/records/13393/files/md.mdp/content ↗
download · from Zenodo
- md.xtc zenodo.org/api/records/13393/files/md.xtc/content ↗
download · from Zenodo
- topol.top zenodo.org/api/records/13393/files/topol.top/content ↗
download · from Zenodo
- popcGromacs4_53a6.itp zenodo.org/api/records/13393/files/popcGromacs4_53a6.itp/content ↗
download · from Zenodo
- start.gro zenodo.org/api/records/13393/files/start.gro/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/13393 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.13393 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/13393 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 13393 | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · Zenodo | connector:zenodo@1.0.0 | /metadata/access_right |
| byte_size | source · Zenodo | connector:zenodo@1.0.0 | |
| concepts[method].local:method:simulation | enrichment · Zenodo | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · Zenodo | connector:zenodo@1.0.0 | |
| description | source · Zenodo | connector:zenodo@1.0.0 | /metadata/description |
| license_text | source · Zenodo | connector:zenodo@1.0.0 | |
| publication_date | source · Zenodo | connector:zenodo@1.0.0 | |
| title | source · Zenodo | connector:zenodo@1.0.0 | /metadata/title |
| updated_date | source · Zenodo | connector:zenodo@1.0.0 |