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Question about raspa

Started by antoine, February 10, 2025, 02:16:11 PM

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antoine

Hello everyone, I hope you are doing well. I want to start using RASPA for GCMC simulations and would like to know if RASPA supports defining specific regions for insertion, deletion, and Monte Carlo moves. Additionally, does it support rigid molecules, such as the SPC water model in my case?

David Dubbeldam

Yes, rigid molecules are supported. Also, per component you can block or allow certain regions for insertion/deletion.

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