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updated tutorial
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simongravelle committed Jul 6, 2024
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.. include:: ../../non-tutorials/accessfile.rst

..
Going further with exercises
============================
Going further with exercises
============================

.. container:: justify
.. container:: justify

The solutions can be found in the GitHub repository of GROMACS tutorials.
The solutions can be found in the GitHub repository of GROMACS tutorials.

Calculate the structure factor
------------------------------
Calculate the structure factor
------------------------------

.. container:: justify
.. container:: justify

Use the *gmx saxs* command and extract its structure factor, or :math:`S(q)`.
The structure factor is a fundamental quantity that it commonly measured
experimentally through Small Angle X-ray Scattering (SAXS) or Small-Angle
Neutron Scattering (SANS) :cite:`hansen2013theory, sedlmeier2011spatial`.
Use the *gmx scattering* command and extract its structure factor, or :math:`S(q)`.
The structure factor is a fundamental quantity that it commonly measured
experimentally through Small Angle X-ray Scattering (SAXS) or Small-Angle
Neutron Scattering (SANS) :cite:`hansen2013theory, sedlmeier2011spatial`.

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