Amyloid-beta 16-22 peptide dimer simulation (150 mM NaCl) with the CHARMM-Drude force field and OpenMM (Run 3)

<p>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.</p> <p>All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.</p> <p>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.</p>