MMSchema

Contents

  • Frequently Asked Questions
  • Examples
    • Water SPC Model

Structure

  • Molecule schema
    • Required Keys
    • Optional Keys

ForceField

  • Forcefield schema
    • Required Keys
    • Optional Keys
  • Nonbonded schema
    • Required Keys
    • Optional Keys
    • Potential Schemas
      • NonBonded LennardJones schema
        • Required Keys
        • Optional Keys
      • NonBonded EAM schema
        • Required Keys
        • Optional Keys
  • Bonds schema
    • Required Keys
    • Optional Keys
  • Angles schema
    • Required Keys
    • Optional Keys
  • Dihedrals schema
    • Required Keys
    • Optional Keys

Collections

  • Trajectory schema
    • Required Keys
    • Optional Keys
MMSchema
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