Dear Materials studio users,
I want to perform co2-ch4 diffusion through a mof which I know that this mof is flexible from the literature. I firstly optimize the geometry using forcite and then use dynamics in forcite. After 10 ns MD simulation, I recognize that only gas molecules are moving when I look at the low energy configuration file. The MOF
structure does not move , I do not see any vibrations. How can I see the changes in MOF also? I mean I want to be sure that the structure is also modeled as flexible. What shoul I do? I will be appreciate for any helpful answers.
Best,
İlknur
