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by Joseph Lawrence
Thu Nov 14, 2024 7:00 pm
Forum: OpenMM
Topic: Does the neighbor list update when setPositions is called using C++ API?
Replies: 1
Views: 146

Does the neighbor list update when setPositions is called using C++ API?

I need to use OpenMM to calculate forces and energies but not to propagate as this is done by an external routine. (I understand this does not make use of many of the advantages of OpenMM, but I require this for now.) Specifically, after the external code has updated the positions I want to know whe...