Text · dataset · 2015
MD simulation trajectory and related files for DPPC bilayer in full hydration (Poger GROMOS 53A6_L, Gromacs 4.0.7, Reaction Field, traj 2)
Listed in Zenodo
Description
Equilibrated DPPC lipid bilayer simulation ran with Gromacs 4.0.7 using Reaction Field for computing electrostatics, Poger GROMOS 53A6_L force field in full hydration (dx.doi.org/10.1002/jcc.21396), 100ns, T=323K, 128 DPPC molecules, 5841 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/10.1002/jcc.21396).
Links
Get the data
- md.xtc zenodo.org/api/records/14591/files/md.xtc/content ↗
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- mdin.mdp zenodo.org/api/records/14591/files/mdin.mdp/content ↗
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- Comments_area_different_gmx_versions.pdf zenodo.org/api/records/14591/files/Comments_area_different_gmx_versions.p… ↗
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- example_lipids.top zenodo.org/api/records/14591/files/example_lipids.top/content ↗
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- em.gro zenodo.org/api/records/14591/files/em.gro/content ↗
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- lipids_vdw.itp zenodo.org/api/records/14591/files/lipids_vdw.itp/content ↗
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- dppc.itp zenodo.org/api/records/14591/files/dppc.itp/content ↗
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- md.tpr zenodo.org/api/records/14591/files/md.tpr/content ↗
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Where it is published
- Zenodo record zenodo.org/records/14591 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.14591 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/14591 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 14591 | 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 |