Published March 2, 2022
| Version v1
Dataset
Open
Amyloid-beta 16-22 peptide dimer simulation (150 mM NaCl) with the CHARMM-Drude force field and OpenMM (Run 3)
Description
MD simulations of the Amyloid-beta 16-22 dimer at 150 mM NaCl concentration with CHARMM-Drude force field and OpenMM. Initial structure is obtained from CHARMM-GUI. In the initial configuration, two amyloid-beta 16-22 monomers are not interacting. This repository contains the third out of three independent runs.
All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.
The trajectory is divided into 7 parts: part_1-2 are each 200 ns long; part_3-6 are each 100 ns long, and part_7 is 640 ns long. Frames are saved in every 10 ps.
Files
Files
(49.5 GB)
| Name | Size | |
|---|---|---|
|
md5:7991e64df8d41daa5544b5ff6d066b6d
|
49.5 GB | Download |
|
md5:38d198fcde58385d22afbd0008bd71a4
|
942 Bytes | Download |
|
md5:2e266f4a5395b8221003a75b2a77fa3d
|
10.5 kB | Download |
|
md5:50ce24594ebe5106527521fe486a9d35
|
3.1 kB | Download |
|
md5:1d937573a4540ee2c36cd6512c7f005f
|
1.9 kB | Download |
|
md5:8bcc3ef242090221d9f155d5251c1d8f
|
7.3 kB | Download |
|
md5:5c46b4ac79e716994fd06a1d6a9adc73
|
6.5 kB | Download |
|
md5:f343fdd60df087717ad169ab018897db
|
10.6 MB | Download |
|
md5:45281a91733f6dfc609c9d7dd3658132
|
1.6 kB | Download |
|
md5:a14e0e1bbd1ec29530644b1e1b396988
|
308 Bytes | Download |
|
md5:dc1067f0eb1c715baa578da5c8d80820
|
456.7 kB | Download |
|
md5:1d8bca1ba08021d708e60176dcba4c51
|
457.1 kB | Download |
|
md5:c4fd5faf665dfcc1ff71de1e66603ec5
|
153.5 kB | Download |
|
md5:7a6e0813d00466efa1ec1f9ae17666a7
|
245.2 kB | Download |
|
md5:91091fddeee5c7d4aaad01678e8e2fd8
|
426.8 kB | Download |
|
md5:b7acebe4d2e2b23eea81e345f5d4b171
|
312.5 kB | Download |
|
md5:0810fadb6ed34e0c8acbb1e28cd42287
|
145.8 kB | Download |