AMBER Archive (2004)

Subject: Re: AMBER: Improper Torsional Parameters

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Mon Jun 14 2004 - 16:54:57 CDT

impropers are calculated the same way,
not using a harmonic term as is done in some
other force fields. the central atom in the improper
is the third atom listed.
carlos
----- Original Message -----
From: "Johnson Agbo" <agboj_at_chem.unr.edu>
To: <amber_at_scripps.edu>
Sent: Monday, June 14, 2004 4:41 PM
Subject: AMBER: Improper Torsional Parameters

> Dear All;
> The manual for amber 7 together with ref. 13 gave the formula used in
> the calculation of the torsion or dihedral angles but no relation is
> given for the improper torsion. How then are the improper torsions
> calculated or they are not necessary for work in Amber.
> Thanks
>
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