1 gmxapi Python interface for GROMACS.
3 gmxapi provides Python access to GROMACS molecular simulation tools.
4 Operations can be connected flexibly to allow high performance simulation and
5 analysis with complex control and data flows. Users can define new operations
6 in C++ or Python with the same tool kit used to implement this package.
8 This Python package requires a compatible GROMACS installation with the API
11 See http://gmxapi.org/ for details on installation and usage.