AMBER Archive (2007)

Subject: AMBER: chiral surfaces

From: Hector A. Baldoni (hbaldoni_at_unsl.edu.ar)
Date: Wed Sep 05 2007 - 18:35:42 CDT


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 sé. 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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