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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

Support for Charmm_OpenMM #52

Closed JohannesKarwou closed 2 years ago

JohannesKarwou commented 2 years ago

Description

We should be able to support Charmm_OpenMM as well

Todos

Status

JohannesKarwou commented 2 years ago

I did this on the wrong branch so I rebased the commit concerning the CHARMM_OpenMM support in a new branch (https://github.com/wiederm/transformato/tree/support_charmm_openmm) with a new pull request (https://github.com/wiederm/transformato/pull/53)