Published December 11, 2022
| Version v1
Dataset
Open
MD Simulation data for a pure DOPC bilayer (450 mM CaCl2) with AMOEBA force field + OpenMM
Authors/Creators
Description
MD simulation data for the DOPC bilayer + 450 mM CaCl2 with the AMOEBA-based force field developed by Li (https://doi.org/10.1080/00268976.2018.1436201).
The simulation contains 72 DOPC lipids, 16 CaCl2 ions, and 2880 water molecules. The trajectory is 218,41 ns long (21841 frames with 10 ps saving frequency).
Files
amoeba2013_wm2014.xml
Files
(4.9 GB)
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md5:f920a8a5f1e482ab448b6a4308675720
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411.1 kB | Preview Download |
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md5:cd8bc6de2d7fb701abae174adedbd1a3
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67.7 kB | Preview Download |
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md5:65f22cd20c2d51c67667d41466af7156
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1.5 MB | Download |
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md5:dba5d60699ce07b849c041c6e486c608
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685 Bytes | Download |
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md5:914a1b5a452bb52c7dcc4a699f8a226f
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18.1 kB | Download |
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md5:1edacf1d35a3aab4434ad5f7a15d87dd
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4.9 GB | Download |