Thomas Schlesier skrev: > Hi all, > does somebody know from where the default parameters for g_hbond (angle > Acceptor-Hydrogen-Donor = 30° ; distance Acceptor-Donor = 0.35nm) are? > I found nothing in the manual about that. Maybe you can find a hint in Luzar et al., J. Chem. Phys., 98, 8160 (1993) Regards Andreas