Published October 23, 2019
| Version v1
Dataset
Open
LIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions, 298K
Authors/Creators
Description
The last 150ns from a 200ns 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 appropriate number of POPG lipids to get 80:20 ratio. NOTE: This version has incorrect dihedral types 1 as discussed here: https://github.com/NMRLipids/NMRlipidsIVPEandPG/issues/12. DATA WITH CORRECTED DIHEDRALS IS IN VERSION 2: dx.doi.org/10.5281/zenodo.3693681
Files
Files
(3.8 GB)
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md5:4b1c646b470a45e5aa2b219abe757505
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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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md5:159ef59a59a93b9d63c347a78119c505
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4.5 MB | Download |
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md5:95369aaa3c633624431cddaa9cf4c35a
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3.6 kB | Download |
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md5:585de7e6bb439aa1a30aba3aa433179d
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3.8 GB | Download |
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md5:4747544d4ee256ce8101ed7ec4992db8
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6.2 MB | Download |