Data · dataset · 2015
MD simulation trajectory for POPC/50% Chol bilayer (CHARMM36, Gromacs 4.5)
Listed in Zenodo
Description
Equilibrated POPC/50%CHL lipid bilayer ran with Gromacs 4.5 with CHARMM36 lipid forcefield. The simulation is composed of 80 POPC/80 Cholesterol at full hydratation and ran for 200ns at 303K, data saved every 20ps. All input parameters can be find on the github repository: github.com/NMRLipids/nmrlipids.blogspot.fi This data is used in the project "Matching lipid force fields with NMR data".
More information at : nmrlipids.blogspot.fi/
Links
Get the data
- POPC_50CHL.gro zenodo.org/api/records/14068/files/POPC_50CHL.gro/content ↗
download · from Zenodo
- POPC_50CHL.xtc zenodo.org/api/records/14068/files/POPC_50CHL.xtc/content ↗
download · from Zenodo
- POPC_50CHL.mdp zenodo.org/api/records/14068/files/POPC_50CHL.mdp/content ↗
download · from Zenodo
- POPC_50CHL.tpr zenodo.org/api/records/14068/files/POPC_50CHL.tpr/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/14068 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.14068 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/14068 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 14068 | 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 |