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ghbfix-training

Supplementaries for 'Automatic learning of hydrogen-bond fixes in an AMBER RNA force field'

Directory contains:

  • setups for the simulations performed using PLUMED as well as the new colvar GHBFIX.cpp in the 'plumed-nest' directory
  • All analysis scripts needed to produce results published in this study
  • Produced results will be saved within the data_produced directory
  • Content of data_loaded directory has to be downloaded from https://zenodo.org/record/5851199