Data · dataset · 2015
MD simulation trajectory and related files for POPC bilayer (CHARMM36, Gromacs 4.5)
Listed in Zenodo
Description
Equilibrated POPC lipid bilayer ran with Gromacs 4.5 with CHARMM36 lipid forcefield. The simulation is composed of 128 POPC 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_0CHL.xtc zenodo.org/api/records/14066/files/POPC_0CHL.xtc/content ↗
download · from Zenodo
- POPC_0CHL.mdp zenodo.org/api/records/14066/files/POPC_0CHL.mdp/content ↗
download · from Zenodo
- POPC_0CHL.gro zenodo.org/api/records/14066/files/POPC_0CHL.gro/content ↗
download · from Zenodo
- POPC_0CHL.tpr zenodo.org/api/records/14066/files/POPC_0CHL.tpr/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/14066 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.14066 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/14066 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Related
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 14066 | 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 |