Amyloid-beta 16-22 peptide monomer simulation (150 mM NaCl) with the CHARMM36m force field and Gromacs (Run 1)
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MD simulations of the Amyloid-beta 16-22 monomer at 150 mM NaCl concentration with CHARMM36m force field and Gromacs. This repository contains the first out of three independent runs. Files belong to the publication "https://doi.org/10.1021/acs.jcim.0c01063" All the simulation parameters and force field files are uploaded into this repository. Simulations are done with Gromacs 2018.3 Total simulation time is 500 ns. Frames are saved with 100 ps frequency.
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Zenodo创建时间：
2022-05-24
