Skip to main content
zenodoopen

NAMD Trajectory of a DLiPC (di18:2PC) bilayer

<p>All-atom DLiPC (1,2-dilinoleoyl-sn-glycero-3-phosphocholine) bilayer simulated in NPT ensemble with NAMD and the CHARMM36 force field from Doktorova et al. 2017 Phys. Chem. Chem. Phys. article (DOI 10.1039/c7cp01921a). The trajectory represents the last 245 ns used for analysis where the area per lipid is equilibrated (the file has 12250 frames output every 20 ps). The bilayer has 200 lipids total (100&nbsp;lipids per leaflet) and is hydrated with 45&nbsp;waters/lipid. The simulation was done at 25C (298.15K) and the trajectory is centered on the bilayer midplane.</p> <p>&nbsp;</p> <p>&nbsp;</p>

ShareScore

44/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
8
Access
20
Reuse readiness
8
Engagement
0

Topics