Engine settings

For Molecular dynamics and Network Extraction specify the AMS engine:

Tip

Reactions Discovery requires a computationally efficient engine. We recommend to use

• ReaxFF,

• DFTB, or

• ML Potential

Engine

Type:

Block

Description:

The input for the computational engine for the MolecularDynamics and NetworkExtraction tasks. The header of the block determines the type of the engine.