RASPA3 => Input files and parameters => Topic started by: tonydorhauer on October 28, 2026, 09:38:05 PM
Title: Hybrid MC/MD to Model Flexibility in MOFs
Post by: tonydorhauer on 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.