MAZE_LOSS ...
  LABEL=l

  PARAMS=1,1,1
... MAZE_LOSS

MAZE_SIMULATED_ANNEALING ...
  LABEL=opt

  N_ITER=10
  LOSS=l
  OPTIMIZER_STRIDE=10
  
  PROBABILITY_DECREASER=300
  COOLING=0.99
  COOLING_SCHEME=geometric

  LIGAND=2635-2646
  PROTEIN=1-2634

  NLIST
  NL_CUTOFF=7
  NL_STRIDE=100
... MAZE_SIMULATED_ANNEALING

PRINT ...
  ARG=opt.sr
  FILE=colvar 
  FMT=%15.8f 
... PRINT
  
