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IRL2 / nanover-server-py

https://irl2.github.io/nanover-docs/#
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Interaction Forces Persist Between Simulations and Recordings when using OmniRunner #302

Open Mohamed-Dhouioui opened 3 days ago

Mohamed-Dhouioui commented 3 days ago

When running a server with the OmniRunner.with_basic_server() module that includes both NanoVer recordings and NanoVer OpenMM XML files, switching from a recording playback to a simulation causes the interaction forces to persist and continue interacting with the new simulation. It appears that the interaction forces are not being properly cleaned up between simulations when cycling through them.

Steps to Reproduce:

  1. Initialize a server using OmniRunner.with_basic_server() with both NanoVer recordings and NanoVer OpenMM XML files.
  2. Start a recording playback simulation.
  3. Switch to a different simulation (e.g., an OpenMM XML simulation) midway through the recording when the interaction force is still there.
  4. Observe that the interaction forces from the previous recording playback persist and affect the new simulation.