Data · dataset · 2015
MD simulation trajectory and related files for POPC bilayer in low hydration (Berger model delivered by Tieleman, Gromacs 4.5)
Listed in Zenodo
Description
Equilibrated POPC lipid bilayer simulation in low hydration (7 water per lipid molecule) ran with Gromacs 4.5, Berger force field delivered by Peter Tieleman (wcm.ucalgary.ca/tieleman/downloads) with fixed double bond dihedrals, 60ns, T=298K, 128 POPC molecules, 896 water molecules. This data is used in the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and github.com/NMRLipids/nmrlipids.blogspot.fi.
If data is used, please cite the nmrlipids.blogspot.fi project and the original publications related to the force field.
Links
Get the data
- popc7wPERpc.gro zenodo.org/api/records/13814/files/popc7wPERpc.gro/content ↗
download · from Zenodo
- cholesterol_new.itp zenodo.org/api/records/13814/files/cholesterol_new.itp/content ↗
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- ffgmxnb.itp zenodo.org/api/records/13814/files/ffgmxnb.itp/content ↗
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- popc.mdp zenodo.org/api/records/13814/files/popc.mdp/content ↗
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- ffgmxbon.itp zenodo.org/api/records/13814/files/ffgmxbon.itp/content ↗
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- popc.itp zenodo.org/api/records/13814/files/popc.itp/content ↗
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- lipid.itp zenodo.org/api/records/13814/files/lipid.itp/content ↗
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- ffgmx.itp zenodo.org/api/records/13814/files/ffgmx.itp/content ↗
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- popc7wPERpc.trr zenodo.org/api/records/13814/files/popc7wPERpc.trr/content ↗
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- popc7wPERpc.tpr zenodo.org/api/records/13814/files/popc7wPERpc.tpr/content ↗
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- ff_dum.itp zenodo.org/api/records/13814/files/ff_dum.itp/content ↗
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- popc7wPERpc.top zenodo.org/api/records/13814/files/popc7wPERpc.top/content ↗
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Where it is published
- Zenodo record zenodo.org/records/13814 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.13814 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/13814 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 13814 | 15 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 |