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 3)
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 third independent simulation runs 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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md5:31dee3d259c7f4976c209e921f93cc01
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6.5 kB | Download |
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md5:33e7c35dbfe9e5514213b0c6c11e5e67
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4.4 MB | Download |
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md5:77b7de9ab625bde0bfb4b90a8d7d5d82
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26.5 GB | Download |
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md5:3a884945260f51ca749fa6ee91d7bee7
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301 Bytes | Download |
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md5:2131d57f643b3e45b5ee0a416ed44777
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457.2 kB | Download |
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md5:c4fd5faf665dfcc1ff71de1e66603ec5
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153.5 kB | Download |
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md5:7a6e0813d00466efa1ec1f9ae17666a7
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245.2 kB | Download |
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427.1 kB | Download |
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md5:b7acebe4d2e2b23eea81e345f5d4b171
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312.5 kB | Download |
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md5:0810fadb6ed34e0c8acbb1e28cd42287
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145.8 kB | Download |