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Fix #917: CLI command to setup simulations only #1178

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andrrizzi merged 3 commits into master from fix-917-setup-only

Jul 31, 2019

Contributor

andrrizzi commented Jul 26, 2019 •

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Fix #917: Add a --setup-only flag to the yank script to run only the automatic setup pipeline and skip the free energy calculation.

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Ready to go.

andrrizzi added 3 commits

July 25, 2019 20:51


          Fix #917: CLI command to setup simulations only

acb6bf2


          Update whatsnew.rst

846949b


          Fix erro with unrecognized experiment

andrrizzi merged commit 61cf64c into master

andrrizzi deleted the fix-917-setup-only branch

July 31, 2019 19:24

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