choderalab/yank

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docs/store_format.rst

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.. _store_format:

NetCDF store file format specification
======================================

Overview
--------

This is a specification for the NetCDF 4 based store file format used by YANK.

Why NetCDF4?
------------

All your questions answered here.

Format specification
--------------------

.. literalinclude:: ncfile-header.txt
    :linenos: