Good morning Dear comunnity,

It is a pleasure for me to be here this 2024. Happy new year to everyone. My question now is about NADES and TURBOMOLE. I am using the test version for one month. My objective is to form a supramolecular complex between the molecules from NADES and finally to generate one and only COSMOFILE to use in COSMOTHERM. How can I do it? I don't know how to put several molecules together to start. In adittion, I read in some articles that they already have the hydrogen bonds established between the water and the other groups (files mol2). I try to find how to do it in some articles but evidently, they don't give details of how to do this. I would appreciate a lot if you can help me with this.

Thank you so much

Sincerely

Alexander