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NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.

homepage: https://www.ks.uiuc.edu/Research/namd/

version versionsuffix toolchain
2.14 -mpi foss/2020b
2.14 -CUDA-11.3.1 foss/2021a
2.14 -CUDA-11.7.0 foss/2022a
2.14 -mpi foss/2022a
2.14 -mpi foss/2023a
2.14 fosscuda/2020b
3.0 -mpi foss/2024a

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