Published October 23, 2019
| Version v2
Dataset
Open
LIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions and 100mM CaCl2, 298K
Description
The last 250ns of a 400ns MD simulation trajectory with Amber lipid 17 force field. POPC-POPG 80:20, (350 POPC, 88 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 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
(6.3 GB)
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md5:0a96ca7ab38a62de4c1aa5245d403415
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9.4 MB | Download |
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md5:de40ac9113436db69960644b25fc3143
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140.3 kB | Download |
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md5:e7ecd442817ab406758cc5240956aed9
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4.1 MB | Download |
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md5:95369aaa3c633624431cddaa9cf4c35a
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3.6 kB | Download |
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md5:3e2b6c4480be26d3f7f1022fe2cf1925
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4.5 MB | Download |
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md5:f29523e84518faa0f8757e0aeec2c533
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6.3 GB | Download |