Subject: AMBER bending parameters

From: Jeff Hey <[email-masked]>
Date: Tue, 23 Jan 1996 13:49:08 -0500

Dear fellow-CCL subscribers,

I would like to do some molecular modeling of sugars using AMBER using
Hyperchem.
However, the parameters sets that I have available to me (AMBER2, AMBER3 and
AMBERS) do not include bending parameters for the atom sequence O(S)-C(T)-OH
(ie an ether oxygen bound to a sp3 carbon which has a hydroxyl group on it).
Can anyone provide me with the values for the bending force constant
(KTheta) and equilibrium bond angle (Theta eq) and/or a reference where I
might be able to find these values for the AMBER force-field?  
(I realize that AMBER was created primarily for studies of proteins and
nucleic acids, but even nucleic acids contain sugars!)

thanks for taking the time to read this,
best regards,
Jeff
*******************************************************************
Dr Jeff Hey
Transfusion and Cryopreservation Research Program
NMRI, Building 29, Naval Medical Centre,
Bethesda, Maryland, 20889-5607.
Telephone: (301) 295 6380  FAX: (301) 295 6083
E-mail:  [email-masked]
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