Hi,
one of the older Amber tutorials deals with this question in detail:
http://ambermd.org/tutorials/advanced/tutorial1_orig/
with copper instead of zinc, but the situation is quite comparable I
think. However, I believe force field parameters for such a metal-ligand
system can not be easily given. You would probably have to trust someone
else's parameterisation for a similar system or develop the parameters
yourself, e.g. based on QM calculations or existing structures.
Kind Regards,
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Fri Sep 16 2011 - 09:00:02 PDT
