LIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions and 1000mM CaCl2, 298K

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dc.contributor.affiliationUniversity of Helsinki-Ollila, O. H. Samuli
dc.contributor.authorOllila, O. H. Samuli
dc.date.accessioned2025-04-29T13:59:48Z
dc.date.issued2019-10-23
dc.date.issued2019-10-23
dc.descriptionThe last 200ns from a 1200ns MD simulation trajectory with Amber lipid 17. POPC-POPG 80:20 (POPC 350, POPG 88) with Na+ counterions and 1000mM 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.identifierhttps://doi.org/10.5281/zenodo.3874378
dc.identifier.urihttps://datakatalogi.helsinki.fi/handle/123456789/4496
dc.rights.licensecc-by-4.0
dc.titleLIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions and 1000mM CaCl2, 298K
dc.typedataset

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