Published October 23, 2019
| Version v2
Dataset
Open
LIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions, 298K
Authors/Creators
Description
The last 350ns from a 400ns MD simulation trajectory with Amber lipid 17 force field. POPC-POPG 80:20 (350 POPC, 88 POPG) with Na+ counterions. The starting structure and lipid 17 parameters from here: https://zenodo.org/record/2585523#.Xbf0FC17FBx. The starting structure was generated by removing the 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
Files
Files
(4.5 GB)
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md5:ebd2b8294ae0a4f7366bfcc0a683a3f0
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140.3 kB | Download |
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md5:890bde95b4715c507b09156c406104bf
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4.1 MB | Download |
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md5:e64aea8ab5d9275e6b6e6ea921c6b9d4
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3.6 kB | Download |
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md5:12b26dfc364699b4f4a11a3d46b0416a
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9.5 MB | Download |
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md5:0bc9ce556e2da9bdffbef54f26bdf280
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4.5 MB | Download |
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md5:40b36503de012c35e1994e25bd4954ed
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4.4 GB | Download |