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Maze.md

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\page MAZE MAZE

maze is a module for PLUMED2, which implements enhanced sampling methods for ligand unbinding from protein tunnels. The maze module is developed and maintained by Jakub Rydzewski at the Institute of Physics, Nicolaus Copernicus University, Torun, Poland. See this link for additional information.

The maze module is an optional module for PLUMED2 that needs to be enabled when configuring the compilation of PLUMED2. You can either pass a flag '--enable-modules=maze' or a '--enable-modules=all' when running the configure script.

See the following sections for further information:

  • \subpage maze_loss
  • \subpage maze_optimizer
  • \subpage maze_bias

\page maze_loss Loss

The following list contains the loss functions available in the maze module.

@MAZE_LOSS@

\page maze_optimizer Optimizers

The following list contains the optimizers available in the maze module.

@MAZE_OPTIMIZER@

\page maze_bias Biases

The following list contains the biases available in the maze module.

@MAZE_BIAS@