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Use openMM to redefine the forcefield #393

@DaniBodor

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@DaniBodor

This has multiple advantages:

  • allows optional (and correct) generation of hydrogens in pdb structures based on predicted protonation state
  • allows determining 1-3 and 1-4 pairings for nonbond energy calculation
  • more accurate/useful/?? forcefield?

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covariatesmodules from the 'features' subpackagefeatureNew feature to addneeds infomore information is neededprioritySolve this firststaleissue not touched from too much time

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