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Article ID: 219 - Last Modified:

Can I generate new GB/SA solvation parameters for MacroModel? Is there a solvation model for DMSO?

You can add new or missing individual solvation parameters to the appropriate .slv file for existing GB/SA models. In addition, you can also place a copy of water.slv in your current working directory, and then add your new parameters to the local file. Unfortunately, it is not possible to add entirely new solvation models. MacroModel does not have any additional solvation models available, such as for DMSO.

Keywords: MacroModel, solvation parameters

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