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Amber

Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction.

homepage: https://ambermd.org/

version versionsuffix toolchain
20.11 -AmberTools-21.3 foss/2020b
20.11 -AmberTools-21.3 fosscuda/2020b
22.0 -AmberTools-22.3-CUDA-11.4.1 foss/2021b
22.0 -AmberTools-22.3 foss/2021b
22.4 -AmberTools-22.5-CUDA-11.7.0 foss/2022a

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