Shortcut: WHAM_WEIGHTS
| Module | wham |
|---|---|
| Description | Usage |
| Calculate and output weights for configurations using the weighted histogram analysis method. |   |
| output value | type |
| the weights that were calculated using WHAM | vector |
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 |
|---|---|---|---|
| BIAS | compulsory | *.bias | the value of the biases to use when performing WHAM |
| STRIDE | compulsory | 1 | the frequency with which the bias should be stored to perform WHAM |
| FILE | compulsory | none | the file on which to output the WHAM weights |
| TEMP | optional | not used | the temperature at which the simulation was run |
| FMT | optional | not used | the format to use for the real numbers in the output file |