tetramethylammonium chloride molecular dynamics simulations
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Simulation data used for the publication: "Hydration of biologically relevant tetramethylammonium cation by neutron scattering and molecular dynamics". Gromacs FFMD simulations: center-bead center-N charmm lowCHdipole neopentane_plumed surface-H AIMD simulation: TMA_64H2O_AIMD_revPBED3_production_trajs
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Zenodo创建时间：
2023-12-19
