Gromacs  2022.2
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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

Modules

 Parallelizable Handling of Output Data (analysisdata)
 Provides functionality for handling and processing output data from analysis.
 
 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.
 
 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.