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cbc-univie / transformato

Set up relative free energy calculations using a common scaffold
https://cbc-univie.github.io/transformato/
MIT License
22 stars 6 forks source link

functioning psf files #127

Closed JohannesKarwou closed 6 months ago

JohannesKarwou commented 6 months ago

Creat psf files for the gas phase that parmed can't handle