Subject: H-bond potentials

From: [email-masked] (Howard Alper)
Date: Fri, 25 Jul 1997 08:17:33 -0700

Hi,

  The CHARMM forcefield has quite a complicated hydrogen-bond potential,
involving various distances and angles.  I believe that in the more recent
versions of CHARMM this h-bond term is not used because h-bonding is modeled
by the combination of Coulombic and van der Waals terms (whiuch have been
adjusted to account for h-bonding.)  But if you are interested in the form
of the potential, its probably in the CHARMM documentation or the original
CHARMM paper in J. Comp. Chem. 4, 187 (1983).

  Howard

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