Class RepexThermo


public class RepexThermo extends Thermodynamics
The RepexThermo command uses the Orthogonal Space Tempering with histogram replica exchange to estimate a free energy difference.
Usage:
ffxc test.RepexThermo [options] <filename> [file2...];
  • Constructor Details

    • RepexThermo

      public RepexThermo()
      RepexThermo Constructor.
    • RepexThermo

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

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