Gromacs

Automated Topology Builder

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    The Automated Topology Builder (ATB) and Repository (http://compbio.biosci.uq.edu.au/atb/) provides the following:

    • A repository for building blocks and interaction parameter files for molecules described using GROMOS force fields.
    • An automated builder to help generate building blocks for novel molecules, compatible with the GROMOS 53A6 force field and in formats appropriate for the GROMACSGROMOS and CNS simulation packages.
    • Refined geometries for molecules within the repository.
    • Equilibrated starting coordinates for a range of biologically important systems
    Page last modified 00:40, 8 Oct 2010 by JLemkul?