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@Amber-MD

Amber Molecular Dynamics

For experienced Amber users: development versions of some parts of AmberTools
README.md
  • Amber is a collection of programs that implement biomolecular simulations at the atomic level, primarily through molecular dynamics.
  • This collection of repositories is an adjunct to the main Amber site at https://ambermd.org
  • Material here is public, but is intended for advanced users, who have already installed the codes at the web page above.
    • Several of the repositories here support the ongoing development of the Amber and AmberTools code bases and are not actually useful for running Amber.
    • The applications available in repositories here have value as standalone applications, but are also all included as part of the AmberTools distribution.

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  1. cpptrajcpptrajPublic

    Biomolecular simulation trajectory/data analysis.

    C++ 167 71

  2. pytrajpytrajPublic

    Python interface of cpptraj

    Jupyter Notebook 191 39

  3. AmberClassicAmberClassicPublic

    Subset of AmberTools, with updates and modifications

    C++ 21 5

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