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galaxycomputationalchemistry / galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry
Apache License 2.0
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Fix for solvate tool #91

Closed simonbray closed 3 years ago

simonbray commented 3 years ago

Based on the latest bug report.

bgruening commented 3 years ago

Should we wait for the new gromacs release?

simonbray commented 3 years ago

I think it isn't necessary, there will be a new 2021 gromacs series soon. I'll update all the tools together when that is ready.