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:

• Loss
• Optimizers
• Biases