Folder contains cp2k simulations: TSequilibration, committor analysis and umbrella sampling simulations, for reactions 1-5.
CA-committor analysis-only the trajectories used to get frames for umbrella sampling
US-input: The input for umbrella sampling simulations and the input for the wham analysis. 
equilibration: the equilibration run of the transition state. 

-------------
TS-1:
CA
US-input
equilibration

TS-2:
CA
US-input
equilibration

TS-3:
CA
US-input
equilibration

TS-4:
CA
US-input
equilibration

TS-5:
CA
US-input
equilibration
