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How to calculate the QCG of mixed solvents? #319

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zdworld opened this issue Jul 18, 2024 · 2 comments
Open

How to calculate the QCG of mixed solvents? #319

zdworld opened this issue Jul 18, 2024 · 2 comments

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@zdworld
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zdworld commented Jul 18, 2024

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.
@cplett
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cplett commented Sep 5, 2024

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

@zdworld
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zdworld commented Sep 7, 2024

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

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@cplett @zdworld