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OpenFreeEnergy / openfe

The Open Free Energy toolkit
https://docs.openfree.energy
MIT License
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Logger info calls for PlainMDProtocol don't make sense in gas phase #713

Open IAlibay opened 8 months ago

IAlibay commented 8 months ago

In gas phase there are no NVT and NPT ensembles, so the logger info ends up being misleading for users.

hannahbaumann commented 8 months ago

If there is no NVT equilibration, there's no logger call anymore. For NPT it would still give the logger info, even for gas-phase NPT.