Title: MD simulation trajectory and related files for POPC bilayer in low hydration (GAFFlipid, Gromacs 4.5)
Type Dataset Ollila O. H. Samuli (2015): MD simulation trajectory and related files for POPC bilayer in low hydration (GAFFlipid, Gromacs 4.5). Zenodo. Dataset. https://zenodo.org/record/13853
Links
- Item record in Zenodo
- Digital object URL
Summary
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, GAFFlipid force field (http://dx.doi.org/10.1039/C2SM26007G) in low hydration, 40ns, T=303K, 126 POPC molecules, 896 water molecules. This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi. If data is used, please cite nmrlipids.blogspot.fi project and the original publication of the parameters: Dickson et al. Soft Matter, 2012,8, 9617-9627 http://dx.doi.org/10.1039/C2SM26007G.
More information
- DOI: 10.5281/zenodo.13853
Dates
- Publication date: 2015
- Issued: January 09, 2015
Notes
Other: {"references": ["nmrlipids.blogspot.fi", "Dickson et al. Soft Matter, 2012,8, 9617-9627 http://dx.doi.org/10.1039/C2SM26007G"]}Rights
- https://opensource.org/licenses/GPL-3.0 GNU General Public License v3.0 only
- info:eu-repo/semantics/openAccess Open Access
Format
electronic resource
Relateditems
| Description | Item type | Relationship | Uri |
|---|---|---|---|
| IsPartOf | https://zenodo.org/communities/nmrlipids | ||
| IsPartOf | https://zenodo.org/communities/zenodo |