Gromacs

Gromacs utilities

    Table of contents
    1. 1. Resources

    There are a number of GROMACS utilities that are used at various points in the process of performing molecular dynamics simulation (MDS). Links to general information pages are found here, as well as categorisation of the programs based on what they are used to perform.

    Each of these utilities will display a detailed explanation of the function, usage and switches required for use by simply entering scriptname -h. Check this first if you are unsure how to use a certain program.

    See Related Software for additional software that can be used in conjunction with GROMACS.

    Resources

    • Analysis of MD trajectories in GROMACS (slides,video) - (David van der Spoel).
    Page last modified 01:18, 13 Oct 2009 by JLemkul?