Hi..
I hv recently started using material studio for studying gas adsorption in polymers.
I followed the following steps:
1. Constructed the polymer using Build Polymer module of 25 repeat units
2. Carried out geometry optimization using Forcite module and Charges using QEQ
3. Constructed a amorphous cell of 4 polymeric chains.
4. Carried out optimization of the cell using Forcite module and Charges Using Current.
5. Lastly performed Sorption calculations.
Are these steps right? Or i hv made some mistake
Pls correct me with this