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integrate extended ensemble data into docs #18

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merged 2 commits into from
Nov 30, 2017
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- include extended ensemble test cases from #4 in gmx.rst
- added sub-headings to distinguish Simple TI/FEP and Extended ensemble
  test data (note: do not use ==== underline because that is used in
  descr.rst, use --- over+underline)
Fixes so that the docs build without issues. For instance, make the citation markers unique.
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@trje3733 I forgot to explain what to do in order for your new datasets to also show up in the docs. Please have a quick look at this PR and review it. Either ask for changes or accept it so that I can merge. Thanks!

@orbeckst orbeckst merged commit b99b26a into master Nov 30, 2017
@orbeckst orbeckst deleted the doc-updates-xe branch November 30, 2017 20:53
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Thanks for the review @trje3733

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