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MDANSE is a modern interface for analysis of molecular dynamics trajectories from a wide range of simulation packages. It started as a fork of [version 3 of the nMOLDYN program] (https://github.com/khinsen/nMOLDYN3).

nMOLDYN was originally developed by Gerald Kneller in 1995 and subsequently also by Konrad Hinsen, Tomasz Rog, Krzysztof Murzyn, Slawomir Stachura, and Eric Pellegrini. MDANSE uses nMOLDYN3 for the most computationally intensive analyses, and also code from the libraries [MMTK] (https://github.com/khinsen/MMTK) and [ScientificPython] (https://github.com/khinsen/ScientificPython), in order to reduce dependencies and thus facilitate installation.

For more information on the history and successive developments of nMoldyn, see:

•  “nMOLDYN: A program package for a neutron scattering oriented analysis of Molecular Dynamics  simulations"; G. R. Kneller, V. Keiner, M. Kneller, M. Schiller; Comp. Phys. Comm. 91, 191-214 (1995). [https://doi.org/10.1016/0010-4655(95)00048-K]
  
• “nMoldyn: A program package for a neutron scattering oriented analysis of Molecular Dynamics  simulations"; T. Róg, K. Murzyn, K. Hinsen, G. R. Kneller; J. Comput. Chem. 24, 657-667 (2003). [https://doi.org/10.1002/jcc.10243]
  
• “nMoldyn3: Using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations"; K. Hinsen, E. Pellegrini, S. Stachura, G. R. Kneller; J. Comput. Chem. 33, 2043-2048 (2012). [https://doi.org/10.1002/jcc.23035]

The latest version of nMOLDYN3 can be found at http://dirac.cnrs-orleans.fr/nMOLDYN.html.

We are grateful to all the people who have contributed to nMOLDYN and MDANSE. Apart from the main developers mentioned above, we would like to acknowledge explicitly the contributions of Bachir Aoun, Vania Calandrini, Paolo Calligari, Gael Goret and Remi Perenon.