Published March 11, 2022
| Version v1
Dataset
Open
Amyloid-beta 16-22 peptide monomer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 2)
Description
Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. Initial structures are obtained from CHARMM-GUI. This is the second independent simulation run out of three. The system does not contain any ions.
Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps.
All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.
Files
Files
(26.5 GB)
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md5:38d198fcde58385d22afbd0008bd71a4
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6.5 kB | Download |
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4.4 MB | Download |
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md5:b09adcd9e5bf4c20b5f7f3955584a42d
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26.5 GB | Download |
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1.6 kB | Download |
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301 Bytes | Download |
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153.5 kB | Download |
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312.5 kB | Download |
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md5:0810fadb6ed34e0c8acbb1e28cd42287
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145.8 kB | Download |