Hybrid MC/MD to Model Flexibility in MOFs

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Hybrid MC/MD to Model Flexibility in MOFs

Started by tonydorhauer, October 28, 2026, 09:38:05 PM

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tonydorhauer

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Hybrid MC/MD to Model Flexibility in MOFs

October 28, 2026, 09:38:05 PM

I'm trying to incorporate flexibility in MOFs using a hybrid MC/MD simulation for CH4 adsorption. Does anyone have any example input files? Is it possible to use VolumeChangeProbability in a regular GCMC simulation? Any help is appreciated.

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► Hybrid MC/MD to Model Flexibility in MOFs

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