Published October 28, 2019
| Version v2
Dataset
Open
LIPID17 POPC-POPG 50:50 MD simulation, Na+ counterions and 100mM CaCl2, 298K
Description
The last 198ns of a 718ns MD simulation trajectory with Amber lipid 17 force field. POPC-POPG 50:50 (150 POPC, 150 POPG) with Na+ counterions and 100mM 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)
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md5:d99679b08b9a5ce9b76c31169b31c6f7
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140.4 kB | Download |
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md5:4ca764503b72e68b764d160ce84e8c1f
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3.8 MB | Download |
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md5:e64aea8ab5d9275e6b6e6ea921c6b9d4
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3.6 kB | Download |
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md5:a559f6ead4b344f7f1063e4436504be0
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9.2 MB | Download |
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md5:5f464bd5548341aaad848b8d0adf56d5
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4.4 MB | Download |
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md5:4aa3a8d95c8b387c14724650c62bf438
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4.9 GB | Download |