clustering  0.12
Clustering suite for molecular dynamics trajectories.
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Clustering::NetworkBuilder Namespace Reference

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

Function Documentation

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

controlling function and user interface for network creation

parsed arguments:

  • 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

Definition at line 370 of file network_builder.cpp.