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Supporting information for a paper benchmarking PME vs RF performance for relative free energies

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PME-RF-benchmark

Supporting information for the paper benchmarking PME vs RF performance for relative free energies

J. Chem. Inf. Model. 2021, 61, 3, 1048–1052

  • SI:
    • analysis/: This folder contains packages, scripts and data for analysis.
    • input_files/: This folder contains input files used for MD simulations.

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Supporting information for a paper benchmarking PME vs RF performance for relative free energies

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