Published October 28, 2019
| Version v2
Dataset
Open
LIPID17 POPC-POPG 50:50 MD simulation, Na+ counterions and 1000mM CaCl2, 298K
Description
The last 200ns of 720ns of MD simulation trajectory with Amber lipid 17 force field. POPC-POPG 50:50 (150 POPC, 150 POPG) 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 POPC lipids to get 50:50 ratio. Dihedral types are corrected to type 9 as discussed here: https://github.com/NMRLipids/NMRlipidsIVPEandPG/issues/12.
Files
Files
(4.9 GB)
| Name | Size | |
|---|---|---|
|
md5:4cdaf3e40d136c23ee30bff6ca889afc
|
140.4 kB | Download |
|
md5:2d5b3c8396befdc4022019958d271da7
|
3.7 MB | Download |
|
md5:e64aea8ab5d9275e6b6e6ea921c6b9d4
|
3.6 kB | Download |
|
md5:7bc295b58718b182828e3e0eced7ac41
|
9.0 MB | Download |
|
md5:f7e72f4dacce4487cf4298417a3fbd18
|
4.3 MB | Download |
|
md5:58decdff86fc0aa02bf93506cf3253e5
|
4.9 GB | Download |