ForceField Manual¶
The forcefield AMS engine implements classical force fields.
Table of Contents:
- Introduction
- Atom typing behavior
- Input via the AMS system block
- ForceField Engine Options
- Examples
- Example: single point for aspirin with UFF
- Example: partial charges and total charge
- Example: load partial charges from another engine
- Example: load atom types from a previous run
- Example: using amber or tripos
- Example: calculate some simple properties for water
- Example: single point for ammonia with TRIPOS
- Required citations
- Parameter files
- Potential shapes
- Periodic ForceField
- References
- Keywords