      ###################################################################################
     #############                                                          ############
    #############      The SIRAH force field version 2.4 March 2026 (c)    ############
   #############   Developed by the Group of Biomolecular Simulations     ############
  #############              Institut Pasteur de Montevideo              ############
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The following parameters were created by Antonella Alba and developed in the spirit of making possible to backmap structures that include non standard modifications and common ligands.
Hence, they were developed using a standard procedure, that consisted in: 
taking CIF files available in the Protein Data Bank (https://www.rcsb.org/) as reference structures,
keeping the same three letter code that every ligand/modified residue has assigned according to wwPDB Chemical Component Dictionary (CCD)(https://www.wwpdb.org/data/ccd),
calculating charges using AM1-BCC,
assigning atom types with GAFF2.

If you find yourself in doubt you can reach us through,
https://www-sirahff-com,
aalba@pasteur.edu.uy,
https://github.com/SIRAHFF/documentation/issues, 
