MD-Tracks documentation ####################### Introduction ============ MD-Tracks is a trajectory analysis toolkit for molecular dynamics and Monte Carlo simulations. It is designed to interact with several simulation codes that generate trajectory data: CP2K, CPMD, DLPOLY, GROMACS, LAMMPS. The trajectory output files are first converted into a in a uniform binary format, which can then be processed with a bundle of analysis scripts, e.g. for the analysis of vibrational spectra, diffusion constants, radial distribution functions, and so on. If you use MD-tracks for your research or for the preparation of publications, please cite the following paper: Verstraelen, T.; Van Houteghem, M.; Van Speybroeck, V.; Waroquier, M. *J. Chem. Inf. Model.* **2008**, 48, 2414-2424. (`http://dx.doi.org/10.1021/ci800233y `_). Tutorial ======== .. toctree:: :maxdepth: 2 :numbered: tut_install tut_support tut_cite