Archive · dataset · 2015
MD simulation trajectory and related files for POPC bilayer in low hydration (CHARMM36, Gromacs 4.5)
Listed in Zenodo
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36 force field in low hydration (dx.doi.org/10.1021/jp101759q), 20ns, T=303K, 72 POPC molecules, 504 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
- charmm36.ff.tar zenodo.org/api/records/13945/files/charmm36.ff.tar/content ↗
download · from Zenodo
- POPC.itp zenodo.org/api/records/13945/files/POPC.itp/content ↗
download · from Zenodo
- mdrun.mdp zenodo.org/api/records/13945/files/mdrun.mdp/content ↗
download · from Zenodo
- popcRUN4.trr zenodo.org/api/records/13945/files/popcRUN4.trr/content ↗
download · from Zenodo
- popcSH.top zenodo.org/api/records/13945/files/popcSH.top/content ↗
download · from Zenodo
- popcRUN4.gro zenodo.org/api/records/13945/files/popcRUN4.gro/content ↗
download · from Zenodo
- popcRUN4.tpr zenodo.org/api/records/13945/files/popcRUN4.tpr/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/13945 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.13945 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/13945 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 13945 | 14 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 |