Gromacs
2024.4
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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. | |