CHARMM parameters for Aib and Iva residues

Isabelle Segalas Isabelle.Segalas at crihan.fr
Fri Jan 19 03:31:56 EST 1996


Dear X-plor users,

We are engaged in 3D structure determination from NMR data of peptides
containing Aib (alpha-aminoisobutyric acid) and Iva (isovaline)
residues.
Did anybody optimize the parameters in CHARMM force field for those
residues ?
Thank you in advance
Sincerely yours

**************************************************
Dr Isabelle SEGALAS
Centre Regional de Spectroscopie de Haute-Normandie
Laboratoire de RMN et Modelisation Moleculaire
UFR des Sciences - Batiment de chimie
76821 MONT-SAINT-AIGNAN Cedex
FRANCE
e-MAil : Isabelle.Segalas at crihan.fr
Tel : (33) 35 14 67 91
Fax : (33) 35 14 65 33 
**************************************************



More information about the X-plor mailing list