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  1. rmsd rmsd Public

    Forked from charnley/rmsd

    Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

    Python

  2. examples examples Public

    Forked from Allen-Tildesley/examples

    Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or downl…

    Fortran