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Gmxapi 30: tutorial / walkthrough #19

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Gmxapi 30: tutorial / walkthrough #19

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@eirrgang eirrgang commented Jun 4, 2018

work in progress for gmxapi issue 30: kassonlab/gmxapi#30

@eirrgang eirrgang requested a review from peterkasson June 4, 2018 19:42
@eirrgang eirrgang force-pushed the gmxapi-30 branch 3 times, most recently from 105cf95 to 6fb1b7f Compare June 5, 2018 18:43
@eirrgang eirrgang changed the base branch from master to devel June 18, 2018 16:36
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This pull request should really be 4 pull requests

  • packaging (Dockerfile and CMake)
  • developer documentation (another task from gmxapi issue Release 0 0 6 #27
  • demonstration notebook illustrating interfaces for gmx and plugin modules
  • tutorial / walk-through in depth sample restrained ensemble workflow

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eirrgang commented Jun 20, 2018 •
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Per previous comment and updates to gmxapi-27 and gmxapi-116, tasks and pull requests have been redistributed...

@eirrgang eirrgang requested a review from jmhays June 20, 2018 14:04
@eirrgang eirrgang changed the title Gmxapi 30 Gmxapi 30: tutorial / walkthrough Dec 14, 2018
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