Gromacs

On-going projects

    Table of contents
    No headers

    Here developers can list their on-going projects. Contact us if you want to help!

    Developer Gromacs projects
    Berk Hess, redmine, gerrit.  
    Erik Lindahl, redmine, gerrit.  
    David van der Spoel, Uppsala University, Sweden. redmine, gerrit. Simulations of liquids and development of tools to analyze liquids simulations (e.g. compute thermodynamic properties). Development of tools to analyze RNA structure. Development of a force field from scratch.
    Justin Lemkul, UMB Implementation of algorithms for polarizable simulations
    Michael Shirts, redminegerrit Physical robustness validation suite, reengineering the md inner loop, creating a general Monte Carlo framework, Monte Carlo barostat, Hamiltonian/Hybrid Monte Carlo

    Mark Abraham, redmine, gerrit.

    GROMACS Development Manager, based at KTH (Stockholm, Sweden)

    Usability (both ease of use and correctness of use), documentation, and sustainability (testing, refactoring to support code maintainability)
    Aleksei Iupinov, redmine, gerrit PME on GPU (CUDA)
    Page last modified 11:12, 25 Nov 2016 by yupinov