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.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Sep 09 2007 - 06:07:13 PDT
