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AmberTools

AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.

homepage: https://ambermd.org/

version toolchain
23.6 foss/2023a
24.10 foss/2024a
25.2 foss/2025a

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