Amyloid-beta 16-22 peptide monomer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 1)
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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 first 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.
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Zenodo创建时间：
2022-03-14
