AccessKeysHome (0) DocRoot (1) Start (2) PrevDoc (3) NextDoc (4) Up (5) Prev (6) Next (7) Top (8) Bottom (9)

CHARGE : Atomic charges from difference density

CHARGE Option Code Arg   Def
  weighting function density   promolecular density  
    potential   promolecular potential  
  inclusion region border n max edge distance 6
  atom range contact n max atom distance 6