AMBER: chiral surfaces

From: Hector A. Baldoni <hbaldoni.unsl.edu.ar>
Date: Wed, 5 Sep 2007 20:35:42 -0300 (ART)

Dear amber user,

It is well know that D-amino acid have enantiomeric conformational energy
surfaces respect to its L-isomers. My question is which terms of the
dihedral parameters of the function

Etors = ( PK / IDIVF ) * ( 1 + cos ( PN * phi - PHASE) )

I would to modify to catch such behavior on the amber force field.

Thank you for help.


---------------------------------
 Dr. Hector A. Baldoni
 Departamento de Quimica
 UNSL - IMASL - CONICET
 Chacabuco 917 (D5700BWS) San Luis
 Argentina
 hbaldoni_at_unsl.edu.ar
 Tel.:+54-(0)2652-423789 ext. 157
----------------------------------
"Lo sť. Pero no lo acepto. Y no estoy resignada." (I know. But i do no
approve. And i am not resigned) Edna St. Vincent Millay.


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Received on Sun Sep 09 2007 - 06:07:13 PDT
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