Welcome to charmm36m-beta’s documentation!

This is an extended version of the CHARMM36m force field which can reliably handle the folding properties of acyclic β-peptides. More information in the original paper [Wacha2019].

Contents:

• Introduction
• A few words about β-peptides
• Quickstart
  • Obtaining the force field files
  • Using with GROMACS
  • Generating molecular geometries
  • Using with CHARMM
• β-residues
  • Derivation from CHARMM amino acid topologies
  • Naming conventions
• Parametrization
• Quirks and caveats
  • Using with GROMACS
• Additional features
  • Alternative terminal groups
  • Solvent topologies and boxes
  • Cyclic β-amino acids
  • Alternative parametrizations
• Reporting bugs and requesting features
• License
  • Disclaimer

Indices and tables

• Index
• Module Index
• Search Page