Gromacs Preprocessed Topology (top) Parser
==========================================

.. versionadded:: 0.5.0

Gromacs can produce *preprocessed topology files* that contain *all* topology information (generated using ``grompp -pp processed.top``). 
Reading the regular topol.top *is not supported*, for now, since the ``#include`` statements are not handled.  
The :class:`~gromacs.fileformats.top.TOP` parser can read an write processed.top files.
The :class:`~gromacs.fileformats.top.TOP` also provides an interface to modify the force-field terms and parameters in a programmatic way. 
Example applications involve system preparation for Hamiltonian-replica exchange (REST2 with lambda scaling), and automated force-field parametrization.  

.. toctree::
   :maxdepth: 1

   top.txt
   blocks.txt