Action: VES_OUTPUT_FES
Module | ves |
---|---|
Description | Usage |
Tool to output biases and free energy surfaces for VES biases from previously obtained coefficients. |
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 | none | the label of the VES bias for to output the free energy surfaces and the bias files |
COEFFS_INPUT | compulsory | none | the name of input coefficient file |
BIAS_OUTPUT | optional | not used | how often the bias(es) should be written out to file |
FES_OUTPUT | optional | not used | how often the FES(s) should be written out to file |
FES_PROJ_OUTPUT | optional | not used | how often the projections of the FES(s) should be written out to file |