FEATURES

Standard Features of the REACTER Protocol

Full LAMMPS Documentation here

REACTER_features_panel_june4_2021.png

Additional Capabilities

  • Competing and/or reversible reactions

  • Reactions triggered by breaking bonds

  • Specify reaction as inter- or intramolecular

  • Coarse-grained models

  • Chiral-sensitive reactions

  • Limit the total number of reactions

  • Constraints in terms of sets of atoms

More Options

  • Customize behavior of reacting atoms

  • Specify subset of simulation to be reactive

  • Update molecule IDs after reaction (default)