This optional keyword controls electrostatic force output from a multigrid (mg-manual, mg-auto, or mg-para) Poisson-Boltzmann calculation. Note that this option must be used consistently for all calculations that will appear in subsequent PRINT statements. For example, if the statement print force 1 - 2 end appears in the input file, then both calculations 1 and 2 must have calcforce keywords present with the same values for flag. The syntax for this keyword is:

     calcforce { flag }

where flag is a text string that specifies the types of force values to be returned:

no

(Deprecated) don't calculate any forces.

total

Calculate and return total electrostatic and apolar forces for the entire molecule.

comps

Calculate and return total electrostatic and apolar forces for the entire molecule as well as force components for each atom.