Imaging · dataset · 2015
DPPC_Berger_OPLS06_NaCl_scaled
Listed in Zenodo
MD simulation trajectory and related files for fully hydrated DPPC bilayer with 150 mM NaCl.
Description
The OPLS-AA-compatible Berger-DPPC-06 force field (DOI:10.1088/0953--8984/18/28/S07) was used with Gromacs 4.6.7. Ions were described by the Åqvist parameters.
The ion charges were scaled by a factor 0.7. Conditions: T=323K, 72 lipids, 2880 SPC waters, 8 Na, 8 Cl. 120 ns trajectory, last 60 ns analyzed.
Links
Get the data
- md.edr zenodo.org/api/records/16485/files/md.edr/content ↗
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- dppc.itp zenodo.org/api/records/16485/files/dppc.itp/content ↗
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- na_density.xvg zenodo.org/api/records/16485/files/na_density.xvg/content ↗
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- dppc_density.xvg zenodo.org/api/records/16485/files/dppc_density.xvg/content ↗
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- density.png zenodo.org/api/records/16485/files/density.png/content ↗
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- md.tpr zenodo.org/api/records/16485/files/md.tpr/content ↗
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- lipidopls.itp zenodo.org/api/records/16485/files/lipidopls.itp/content ↗
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- md.mdp zenodo.org/api/records/16485/files/md.mdp/content ↗
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- topol.top zenodo.org/api/records/16485/files/topol.top/content ↗
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- ffgmx2.hdb zenodo.org/api/records/16485/files/ffgmx2.hdb/content ↗
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- md.gro zenodo.org/api/records/16485/files/md.gro/content ↗
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- cl_density.xvg zenodo.org/api/records/16485/files/cl_density.xvg/content ↗
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- ions_s.itp zenodo.org/api/records/16485/files/ions_s.itp/content ↗
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- md.xtc zenodo.org/api/records/16485/files/md.xtc/content ↗
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- protonated.xtc zenodo.org/api/records/16485/files/protonated.xtc/content ↗
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- orderparameters.xvg zenodo.org/api/records/16485/files/orderparameters.xvg/content ↗
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Where it is published
- Zenodo record zenodo.org/records/16485 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.16485 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/16485 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 16485 | 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 |