Class MostBar


public class MostBar extends AlgorithmsCommand
The MostBar script uses a single set of archive file(s) from a Metropolized Orthogonal Space Tempering run to evaluate free energy via the Bennett Acceptance Ratio
Usage:
ffxc test.MostBar [options] <structures1>
  • Constructor Details

    • MostBar

      public MostBar()
      MostBar Constructor.
    • MostBar

      public MostBar(FFXBinding binding)
      MostBar Constructor.
      Parameters:
      binding - The Binding to use.
    • MostBar

      public MostBar(String[] args)
      MostBar constructor that sets the command line arguments.
      Parameters:
      args - Command line arguments.
  • Method Details

    • setProperties

      public void setProperties(org.apache.commons.configuration2.CompositeConfiguration addedProperties)
    • run

      public MostBar run()
      Execute this Command.
      Overrides:
      run in class FFXCommand
      Returns:
      The current FFXCommand.