functions for network creation from free energy screening More...

Functions
void	main (boost::program_options::variables_map args)

Detailed Description

functions for network creation from free energy screening

This module finds local minimas in the free energy landscape. Therefore, it build a network from the previously determined clusters.

Function Documentation

void Clustering::NetworkBuilder::main ( boost::program_options::variables_map args )

controlling function and user interface for network creation

Parameters

min	min. free energy to take into account
max	max. free energy to take into account
step	free energy stepping
basename	basic input file format
minpop	min. population per microstate, discard states with lower population
network-html	generate an html representation of the network

Definition at line 380 of file network_builder.cpp.