Data · dataset · 2015
MD simulation trajectory and related files for n-octyl-b-D-maltoside (C8G2) simulation in lamellar phase (Gromacs 4.5.)
Listed in Zenodo
Description
Simulation trajectory and related files used in: Signal intensities in 1H–13C CP and INEPT MAS NMR of liquid crystals A. Nowacka, N.A. Bongartz, O.H.S. Ollila, T. Nylander and D. Topgaard Journal of Magnetic Resonance 230 (2013) 165–175 dx.doi.org/10.1016/j.jmr.2013.02.016
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- ff_dum.itp zenodo.org/api/records/14880/files/ff_dum.itp/content ↗
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- forcefieldFIX.itp zenodo.org/api/records/14880/files/forcefieldFIX.itp/content ↗
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- part2.gro zenodo.org/api/records/14880/files/part2.gro/content ↗
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- part2.xtc zenodo.org/api/records/14880/files/part2.xtc/content ↗
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- topol.top zenodo.org/api/records/14880/files/topol.top/content ↗
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- part2.tpr zenodo.org/api/records/14880/files/part2.tpr/content ↗
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- ffbonded.itp zenodo.org/api/records/14880/files/ffbonded.itp/content ↗
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- ffnonbondedFIX.itp zenodo.org/api/records/14880/files/ffnonbondedFIX.itp/content ↗
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- grompp.mdp zenodo.org/api/records/14880/files/grompp.mdp/content ↗
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Where it is published
- Zenodo record zenodo.org/records/14880 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.14880 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/14880 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Magnetic resonance imaging 65% · Simulation 75%
Provenance · 1 source records, 10 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 14880 | 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%) |
| concepts[modality].local:modality:mri | enrichment · Zenodo | keyword-concept-rules@1.0.0 | title+description (65%) |
| 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 |