How to calculate the QCG of mixed solvents?

Open zdworld opened this issue 1 year ago • 2 comments

Hello, I want to calculate the solvation free energy of a solute in a mixed solvent. Is there any method to modify the input file or the commnad? Thank you. WuHan.

Jul 18 '24 06:07 zdworld

Hi, Currently, there is no specific option for treating mixed solvents with the QCG.

Sep 05 '24 09:09 cplett

Thank you, i have got that is a extremly complicated problem.

Sep 07 '24 04:09 zdworld

This issue had no activity for 6 months. It will be closed in 1 week unless there is some new activity.

Mar 07 '25 01:03 github-actions[bot]