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[Fast Enhacement] Update OpenFF Force field version #112

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talagayev opened this issue Dec 14, 2024 · 0 comments
Open

[Fast Enhacement] Update OpenFF Force field version #112

talagayev opened this issue Dec 14, 2024 · 0 comments

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@talagayev
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talagayev commented Dec 14, 2024

The current version is openff-2.2.0,
while a new version openff-2.2.1.offxml was realeased

  • Change the version of OpenForcefields to openff-2.2.1.offxml

also mention that it is prefered with TIP3, since it is co-optimized with it

also need to add in the acknowledments openforcefields

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