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by Elijah Karvelis
Tue Jun 11, 2024 8:22 am
Forum: OpenMM
Topic: QM/MM
Replies: 0
Views: 263

QM/MM

Is it possible to run a QM/MM treatment with OpenMM? If so, are there any tutorials/resources? I'd like to do umbrella sampling along a breaking covalent bond. Thank you!