Data · dataset · 2015
MD simulation trajectory and related files for POPC bilayer in low hydration (GAFFlipid, Gromacs 4.5)
Listed in Zenodo
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, GAFFlipid force field (dx.doi.org/10.1039/C2SM26007G) in low hydration, 40ns, T=303K, 126 POPC molecules, 896 water molecules. This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and github.com/NMRLipids/nmrlipids.blogspot.fi.
If data is used, please cite nmrlipids.blogspot.fi project and the original publication of the parameters: Dickson et al. Soft Matter, 2012,8, 9617-9627 dx.doi.org/10.1039/C2SM26007G.
Links
Get the data
- endconf.gro zenodo.org/api/records/13853/files/endconf.gro/content ↗
download · from Zenodo
- popc3.top zenodo.org/api/records/13853/files/popc3.top/content ↗
download · from Zenodo
- mdrun.mdp zenodo.org/api/records/13853/files/mdrun.mdp/content ↗
download · from Zenodo
- tip3pGAFF.itp zenodo.org/api/records/13853/files/tip3pGAFF.itp/content ↗
download · from Zenodo
- POPC.itp zenodo.org/api/records/13853/files/POPC.itp/content ↗
download · from Zenodo
- popcRUN3.tpr zenodo.org/api/records/13853/files/popcRUN3.tpr/content ↗
download · from Zenodo
- popcRUN3.trr zenodo.org/api/records/13853/files/popcRUN3.trr/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/13853 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.13853 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/13853 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 13853 | 10 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 |