polymerist.mdtools.openfftools.solvation.packing
================================================

.. py:module:: polymerist.mdtools.openfftools.solvation.packing

.. autoapi-nested-parse::

   For packing solvents into Topology boxes using packmol



Attributes
----------

.. autoapisummary::

   polymerist.mdtools.openfftools.solvation.packing.LOGGER


Functions
---------

.. autoapisummary::

   polymerist.mdtools.openfftools.solvation.packing.pack_topology_with_solvent


Module Contents
---------------

.. py:data:: LOGGER

.. py:function:: pack_topology_with_solvent(offtop: openff.toolkit.Topology, solvent: openff.toolkit.Molecule, box_vecs: Union[polymerist.mdtools.openfftools.boxvectors.VectorQuantity, polymerist.mdtools.openfftools.boxvectors.BoxVectorsQuantity], density: openmm.unit.Quantity, **kwargs) -> openff.toolkit.Topology

   Pack a Topology with a given solvent molecule to a given box size with desired density
   The dimensions of the desired box_dimensions