This repository was archived by the owner on May 28, 2020. It is now read-only.
This repository was archived by the owner on May 28, 2020. It is now read-only.
how to write a cif file readable by RASPA #56
Description
Hello,
I took the cif file of MOF-200 and MOF-177 from RASPA which I then doped with transition metals using Gausvew and Avogadro to increase the interactions during adsorption of the hydrogen. But I can't simulate the adsorption of hydrogen by the cif file of doped MOF / how to do it please.