Subject: Seraching for Nickel parameters

From: Andrea Bernini <[email-masked]>
Date: Fri, 12 Mar 1999 15:54:38 +0100

I'm working on small peptides which complex nickel II ion via
histidines, and want to model such structures with amber molecular
dynamics, but the force field lack of nickel parameters. Does anyone got
information or can give references to nickel II parameters such as
armonic force constants, torsional barriers, 6-12 potentials? Or are
there other force-fields/softwares which got yet these nickel
parameters?

Thanks in advance, Andrea Bernini.
______________________________________________

Dr. Andrea Bernini
BioTechnology Ph.D. at Molecular Biology Dept.
University of Siena
Via Fiorentina 1, 53100 Siena, Italy
Phone +39 577 227911
Fax   +39 577 227903