Molden2.6 allows the calculation of charges fitted to the ElectroStatic Potential (ESP) on a series of connolly surfaces. (gamess/gaussian only) molden esp.test > esp.out KEYWORDS: Default ESPCH triggers calculation esp charges NUMSURF=n the number of connolly surfaces (4) CONNSC=n.n initial scalefactor vdwaals radii (1.4) CONNINCR=n.n increment scalefactor for next surface (0.2) PTDEN=n.n Density of points per Unit Area (3.0) DIPX=n.n specifies dipole moment to be fitted to DIPY=n.n specifies dipole moment to be fitted to DIPZ=n.n specifies dipole moment to be fitted to The default is not to fit the dipole moment After BESLER,MERZ,KOLLMAN J. COMPUT. CHEM.