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wehs7661 / ensemble_md

A python package for performing GROMACS simulation ensembles
MIT License
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Reducing the overhead in parallelizing simulations #14

Closed wehs7661 closed 1 year ago

wehs7661 commented 1 year ago

The goal of this PR is to reduce the overhead in parallelizing simulations, as discussed at the end of issue #13 .

wehs7661 commented 1 year ago

Closing the PR since this is not relevant anymore in the short term. See issue #13 .