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Merge pull request #527 from schuhmc/master
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fix minor typos
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Lnaden authored Apr 2, 2024
2 parents 1b50851 + 017c26b commit 85e034c
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6 changes: 3 additions & 3 deletions docs/moving_from_pymbar3.rst
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Expand Up @@ -131,12 +131,12 @@ Free energy surfaces

Previously, ``pymbar`` had a method ``PMF`` that estimated a free
energy from a series of umbrella samples using a histogram
approach. This was sematically problematin in two ways. First, the
approach. This was semantically problematic in two ways. First, the
term PMF (potential of mean force) is somewhat of an ambiguous term,
as the potential of mean force has some dependence on the coordinate
system in which the mean force is calculated. Since ``pymbar`` does
not calculate free energies by integration of mean force, this caused
some comfusion. To be clearer, we now have renamed the class
some confusion. To be clearer, we now have renamed the class
``FES``, for "free energy surface".

The inclusion of a PMF function also created some confusion where some
Expand All @@ -158,7 +158,7 @@ with the code, please see: :ref:`fes_with_pymbar`.
Acceleration
------------

Previous version of ``pymbar`` include acceleration using explict C++
Previous version of ``pymbar`` include acceleration using explicit C++
inner loops. The C++ interface has become out of date. ``pymbar``
optimization routines are now accelerated with ``jax``. This provides
approximately a 2x speed up when performed on most CPUs, and
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