Grid Based Score

   The grid-based score is based on the non-bonded terms of the molecular mechanic force field (see Grid for more background).

   NOTE: The following parameter definitions will use the format below:

       parameter_name [default] (value):
       #description

   In some cases, parameters are only needed (questions will only be asked) if the parameter above is enforced. These parameters are indicated below by additional indentation.

   Grid Score Parameters

       * grid_score_primary [yes] (yes, no):
         # Flag to perform grid-based energy scoring as the primary scoring
         #function
       * grid_score_secondary [yes] (yes, no):
         # Flag to perform grid-based energy scoring as the secondary #scoring function
             o grid_score_vdw_scale [1] (float):
               # Scalar multiplier of the VDW energy component
                   + (if grid_score_vdw_scale = 0)
                     grid_score_turn_off_vdw [yes] (yes, no):
                     #Flag to turn of vdw portion of scoring function
             o grid_score_es_scale [1] (float):
               # The prefix to the grid files containing the desired energy
               #grid
                   + (if grid_score_es_scale = 0)
                     grid_score_turn_off_es [yes] (yes, no):
                     #Flag to turn of es portion of scoring function
             o grid_score_grid_prefix [grid] (string):
               #The prefix to the grid files containing the desired nrg grid