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purewater keyword in SPAM

Open DDGmichigan opened this issue 4 years ago • 0 comments

Hello, For mixtures of two solvents ( A+B), A is 10% vol:vol conc and B is TIP3P water. purewater does not calculate the bulk free energy of the A co-solvent How can we use SPAM to use Mixed solvent interaction free energies, if the reference bulk value cannot be calculated. Any help will be so appreciated. Thanks

DDGmichigan avatar Jan 29 '21 13:01 DDGmichigan