In file MCSimulation.C:

foldingResult MCSimulate

(Protein* startP, const int maxIter,
  Protein* foldedP,
  Protein* unfoldedP,
  float minDistFolded,
  float minDistUnfolded)

does MC from startNodeIndex.

Documentation

does MC from startNodeIndex. stops when it gets close to either foldedStateIndex or unfoldedStateIndex. Does a max. of maxIter iterations.

returns foldingResult.

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