Gromacs core modules¶
This section documents the modules, classes, and functions on which the other parts of the package rely. The information is probably mostly relevant to anyone who wants to extend the package.
gromacs.core
– Core functionalitygromacs.config
– Configuration for GromacsWrappergromacs.environment
– Run time modification of behaviourgromacs.formats
– Accessing various filesgromacs.utilities
– Helper functions and classesanalysis.collections
– Handling of groups of simulation instancesgromacs.tools
– Gromacs commands classes