Good morning Dear Comunity
I have some questions about COSMOconf.
- When I obtain n confomations for a molecule, I see that there are numbers for each conformation. What is the criteria to show just 7 conformations and not 150, for example.
- The datasheet of the software says: Automatic conformer selection by relevance to the chemical potential (μ-clustering) in diverse solvents. What does it mean this and how can I do it?
- I dont know if it is related with the previous question, but how can I know which conformation is the most probable according to a specific solvent? Can I talk about the concentrations of each conformation according to the solvent? Can I calculate them?
Thank you so much for your help
Best regards
Alexander
