We should attempt to refactor out as much GROMACS-specific features into generic Interface classes as possible in order to facilitate handling of chemical objects between different simulation software in the future.
It ultimately may become appropriate to either create a new plugin with these generic objects, or rename the current plugin to force-bdss-plugin-simulation-tools, which contributes both force-md-simulation and force-gromacs packages.
We should attempt to refactor out as much GROMACS-specific features into generic
Interfaceclasses as possible in order to facilitate handling of chemical objects between different simulation software in the future.It ultimately may become appropriate to either create a new plugin with these generic objects, or rename the current plugin to
force-bdss-plugin-simulation-tools, which contributes bothforce-md-simulationandforce-gromacspackages.