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This is a placeholder page to begin discussion/planning regarding biopolymer force fields. David Cerutti (Deactivated) will soon begin working in this area.

Objective

Build an OpenFF protein force field

Objectives for 2020:

  • Bring in an AMBER protein force field to SMIRNOFF format

  • Build an OpenFF protein force field (and later, biopolymer) which includes protein-specific parameters where needed (especially torsions) but works naturally with the small molecule force field

Team

Project leader: David Cerutti (Deactivated)

Team members: Jeffrey Wagner David Mobley and others TBD

Tasks:

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