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marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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Make scfix default for M3 #416

Open fgrunewald opened 2 years ago

fgrunewald commented 2 years ago

Not many people are using scfix with Martini3 proteins even though it improves side-chain conformations and dynamics. Perhaps it would be best to make this option default.

pckroon commented 2 years ago

Sounds good to me. Note that this should be a minor version increment, not a bug version increment (e.g. 0.7.3 -> 0.8.0)