Hello,
I was wondering how I can use iRASPA to generate a potential energy surface a MOF. I had tried downloaded iRASPA from the Microsoft store and the Apple store but neither seems to have the "Adsorption Surface" section under the "Appearance" tab that I saw in the photos.
Furthermore, I was wondering if it is possible to get the energies of each molecule per MC step from RASPA simulations with the grand canonical ensemble?
Many thanks in advance!
I was wondering how I can use iRASPA to generate a potential energy surface a MOF. I had tried downloaded iRASPA from the Microsoft store and the Apple store but neither seems to have the "Adsorption Surface" section under the "Appearance" tab that I saw in the photos.
Furthermore, I was wondering if it is possible to get the energies of each molecule per MC step from RASPA simulations with the grand canonical ensemble?
Many thanks in advance!