Capabilities

Engine

Known bugs

4-site water models

5-site water models

Virtual sites on ligands

Proteins

Nucleic acids

Lipids

Carbohydrates

All

No supported SMIRNOFF force fields

OpenMM

Link

Supported

Supported

Supported

Supported

GROMACS

Link

Partially supported

Supported

Partially supported

Supported

Amber

Link

Unsupported1

Unsupported1

Unsupported1

Supported

LAMMPS

Link

Not supported

Not supported

Not supported

Not tested

  1. Unable to find upstream documentation