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Test convergence for capped AAs mutation #79

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ijpulidos opened this issue Sep 16, 2024 · 0 comments

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ijpulidos commented Sep 16, 2024

We want to check convergence of the following cases for protein mutation protocols. These should probably run in our GPU CI instances.

Capped AA tests:
- ALA -> GLY and GLY -> ALA
- Charged capped AA tests: LEU -> ASP and ASP -> LEU
Convergence test: Adapt ALA dipeptide perses test case to feflow.

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