mdevaluate
dev-17.11
Installation
General Hints for Python Programming
User Guide
Loading of simulation data
Evaluation of static properties
Evaluation of dynamic properties
Special Topics
Example Gallery
Contributing
Reference Guide
mdevaluate
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User Guide
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User Guide
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Loading of simulation data
Example
Selecting a subset
Specifying data files
Caching of frames
Evaluation of static properties
Slicing of the trajectory
Calculating distributions
Advanced evaluations
Evaluation of dynamic properties
Arguments of
shifted_correlation
Special Topics
Automatic Saving of Analysis Data
Spatial Resolved Analysis
Computing the Overlap Function
Gromacs Energy Files