Gromacs  2024.2
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Modules
Analysis Modules
+ Collaboration diagram for Analysis Modules:

Description

Modules used in analysis tools.

A separate page describes the responsibilities of these modules: Framework for trajectory analysis Framework for energy analysis

Modules

 Handling of writing new coordinate files
 Provides basic functions to handle writing of new coordinate files.
 
 Correlation functions
 Compute correlation functions and fit analytical functions to the result.
 
 Framework for Energy Analysis (energyanalysis)
 Provides functionality for implementing energy analysis modules.
 
 Parallelizable Handling of Output Data (analysisdata)
 Provides functionality for handling and processing output data from analysis.
 
 Parsing and Evaluation of Analysis Selections (selection)
 Provides functionality for initializing and evaluating selections.
 
 Framework for Trajectory Analysis (trajectoryanalysis)
 Provides functionality for implementing trajectory analysis modules.