Examples¶
The $AMSHOME/examples/forcefield directory contains many different example files, covering various aspects. This is a selection of relevant examples showing what the engine input looks like.
We do not repeat here all functionality that is available from the AMS driver level, see the AMS 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