Shortcut: CONVERT_TO_FES
Module | gridtools |
---|---|
Description | Usage |
Convert a histogram to a free energy surface. | |
output value | type |
the free energy surface | grid |
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 |
---|---|---|---|
ARG | compulsory | none | the histogram that you would like to convert into a free energy surface |
GRID | optional | not used | the histogram that you would like to convert into a free energy surface (old syntax) |
TEMP | optional | not used | the temperature at which you are operating |
MINTOZERO | optional | false | set the minimum in the free energy to be equal to zero |