| Class | Description |
|---|---|
| AbstractAdaptiveQMMMProcessor<I,O> |
This class is to set up and execute adaptive QM/MM partitioning.
|
| AbstractClusteringProcessor<I,O> |
This class is to set up and execute clustering based on DORI analysis.
|
| AdaptiveQMMMProcessor |
This class is to set up and execute adaptive QM/MM partitioning.
|
| FileAdaptiveQMMMProcessor |
This class is to set up and execute adaptive QM/MM partitioning.
|
| FileClusteringProcessor |
This class is to set up and execute clustering.
|
| FileInteractionSetProcessor |
This class is to set up and get all interaction pairs.
|
| SerialAdaptiveQMMMProcessor |
This class is to set up and execute adaptive QM/MM partitioning.
|
| SerialClusteringProcessor |
This class is to set up and execute clustering.
|
| StringAdaptiveQMMMProcessor |
This class is to set up and execute adaptive QM/MM partitioning.
|