QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: [email protected] on July 1, 2023, 13:38

Title: How to perform calculation in solvent medium in ATK (Version: ATK-R-2020.09-SP1)
Post by: [email protected] on July 1, 2023, 13:38

I am using the QuantumATK-R-2020.09-SP1 version and I wish to run a system where solvation effects in a medium such as formaldehyde is considered. Is there any way to perform solvation effects in ATK?

Title: Re: How to perform calculation in solvent medium in ATK (Version: ATK-R-2020.09-SP1)
Post by: Anders Blom on August 4, 2023, 19:53

Not in that version. COSMO and COSMO-RS analysis was added recently, in U-2022.12.