PROFASI  Version 1.5
Public Member Functions | List of all members
Retrace Class Reference

A program to retrace the path of an individual replica of parallel tempering. More...

#include <Retrace.hh>

Inheritance diagram for Retrace:
Inheritance graph

Public Member Functions

int parseCommand (InstructionString s)
 A few commands in addition to those taken by "BasicMCRun".
- Public Member Functions inherited from BasicMCRun
int parseCommands (std::list< InstructionString > &cmds)
 Execute commands collected with getCommands.

Additional Inherited Members

- Protected Member Functions inherited from BasicMCRun
virtual void writeConf ()
 Write program state to PROFASI binary configuration file.
int recover (unsigned rcyc=(unsigned)-1)
 Restore the state of the run to a given point of a previous run.
FILE * open_segment (std::string prfx)
 Open a new conf.data___ file for a new simulation segment.
- Protected Attributes inherited from BasicMCRun
PopulationHandler PH
 A population handler.
ObsHandler H
 An observable handler.
RandomNumberHandler ranh
 A handler object for random numbers.
FFHandler ffh
 A force field handler.

Detailed Description

The purpose of this class is to follow the path of a single replica of a parallel tempering run, by using its temperature history file for temperature updates. It is implemented using the GMC class as the Monte Carlo algorithm.

The documentation for this class was generated from the following files:

PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2