Action: REWEIGHT_TEMP_PRESS
| Module | bias |
|---|---|
| Description | Usage |
| Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. |   |
| output value | type |
| the weight to use for this frame to determine its contribution at a different temperature/pressure | scalar |
Input
The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| ENERGY | scalar | Energy |
| VOLUME | scalar | Volume |
Further details and examples
Text from manual goes here
Syntax
The following table describes the keywords and options that can be used with this action
| Keyword | Type | Default | Description |
|---|---|---|---|
| ENERGY | input | none | Energy |
| VOLUME | input | none | Volume |
| TEMP | optional | not used | the system temperature |
| REWEIGHT_PRESSURE | optional | not used | Reweighting pressure |
| PRESSURE | optional | not used | The system pressure |
| REWEIGHT_TEMP | optional | not used | Reweighting temperature |