Command line tool: drr_tool

Module	drr
Description	Input
Extract or merge the drrstate files.	command line args

Details

Text from manual goes here

Syntax

The following table describes the command line options that are available for this tool

Keyword	Description
--help/-h	print this help
--extract	Extract drrstate file(s)
--merge	Merge eABF windows
--merge_output	The output filename of the merged result
--divergence	Calculate divergence of gradient field (experimental)
--dump-fmt	the format to use to dump the output
--units	the units of energy can be kj/mol, kcal/mol, j/mol, eV or the conversion factor from kj/mol
-v	Verbose output