Archive · dataset · 2015
MD simulation trajectory and related files for POPC bilayer (CHARMM36, Gromacs 4.5)
Listed in Zenodo
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36 force field (dx.doi.org/10.1021/jp101759q), 20ns, T=303K, 72 POPC molecules, 2242 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 (dx.doi.org/10.1021/jp101759q).
Links
Get the data
- popcRUN2-3.trr zenodo.org/api/records/13944/files/popcRUN2-3.trr/content ↗
download · from Zenodo
- POPC.itp zenodo.org/api/records/13944/files/POPC.itp/content ↗
download · from Zenodo
- popc.top zenodo.org/api/records/13944/files/popc.top/content ↗
download · from Zenodo
- mdrun.mdp zenodo.org/api/records/13944/files/mdrun.mdp/content ↗
download · from Zenodo
- popcRUN3.gro zenodo.org/api/records/13944/files/popcRUN3.gro/content ↗
download · from Zenodo
- charmm36.ff.tar zenodo.org/api/records/13944/files/charmm36.ff.tar/content ↗
download · from Zenodo
- popcRUN2.tpr zenodo.org/api/records/13944/files/popcRUN2.tpr/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/13944 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.13944 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/13944 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Related
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 13944 | 12 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 |