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choderalab / enhanced-sampling-tmem175

Repository for running and assessing enhanced sampling simulations of TMEM175
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add ability to use different idx for RMSD calculation #3

Closed apayne97 closed 2 years ago

apayne97 commented 2 years ago

mostly done here: https://github.com/choderalab/enhanced-sampling-tmem175/commit/b9d613b4f4927ff2b12a0f8264ad37d97c216596