Subject: Hessian for Sybyl out-of-plain potential

From: Anselm Horn <[email-masked]>
Date: Sun, 04 Aug 2002 19:26:05 +0200

Dear all,

I am looking for the analytical expression of the Hessian matrix
(with respect to cartesian coordinates of atoms A, B, C. D)
for the Tripos (Sybyl) force field type out-of-plain potential:

E(oop) = k*(h - h0)**2,
where h is the distance from atom A to the plain formed by atoms B, C,
and D;
k is the force constant and h0 is a possible "optimum" distance.

Any kind of hint (Journal reference, web page, program source code etc)
would be very helpful!

Thanks in advance,

Anselm

--
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Anselm Horn, Dipl. Chem. Univ.          [email-masked]
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