LIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions and 100mM CaCl2, 298K
| dc.contributor.affiliation | University of Helsinki-Ollila, O. H. Samuli | |
| dc.contributor.author | Ollila, O. H. Samuli | |
| dc.date.accessioned | 2025-04-29T13:59:39Z | |
| dc.date.issued | 2019-10-23 | |
| dc.date.issued | 2019-10-23 | |
| dc.description | The last 250ns of a 400ns MD simulation trajectory with Amber lipid 17 force field. POPC-POPG 80:20, (350 POPC, 88 POPG), with Na+ counterions and 100mM CaCl2. The starting structure and lipid 17 parameters from here: https://zenodo.org/record/2585523#.Xbf0FC17FBx The starting structure was generated by removing appropriate number of POPG lipids to get 80:20 ratio. Dihedral types are corrected to type 9 as discussed here: https://github.com/NMRLipids/NMRlipidsIVPEandPG/issues/12. | |
| dc.identifier | https://doi.org/10.5281/zenodo.3833725 | |
| dc.identifier.uri | https://datakatalogi.helsinki.fi/handle/123456789/4408 | |
| dc.rights.license | cc-by-4.0 | |
| dc.title | LIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions and 100mM CaCl2, 298K | |
| dc.type | dataset |