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galaxycomputationalchemistry / galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry
Apache License 2.0
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update gromacs version #34

Closed simonbray closed 5 years ago

simonbray commented 5 years ago

ping @gmauro

tsenapathi commented 5 years ago

@simonbray need to update top_output.top in test data?

simonbray commented 5 years ago

@tsenapathi thanks, I'm running the tests locally and will try and fix all issues with test data