Published October 23, 2019
| Version v2
Dataset
Open
LIPID17 POPC-POPG 80:20 MD simulation, Na+ counterions and 1000mM CaCl2, 298K
Description
The last 200ns from a 1200ns MD simulation trajectory with Amber lipid 17. POPC-POPG 80:20 (POPC 350, POPG 88) 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 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
(5.0 GB)
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md5:0995675085fb5807afc72730ddb06ed1
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140.3 kB | Download |
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md5:555f67030dfc2d57801881e1250460a3
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4.0 MB | Download |
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md5:e64aea8ab5d9275e6b6e6ea921c6b9d4
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3.6 kB | Download |
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md5:ac66adb13448cde83f6d5223477f4e62
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9.3 MB | Download |
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md5:e925ed2037051d7c175bad2ad207a95c
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4.4 MB | Download |
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md5:cb4af71e9a8cfe171ad110dfc14e1ad0
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5.0 GB | Download |