Dear Amber Community,
I am working to implement a DOTA-Copper complex in Amber 7. In my search
for a forcefield for this I have come across a paper by Reichert et al.
(Inorganic Chemistry, 2001, 40, 5223-5230). This paper has done a very
nice job in creating and validating parameters for the forcefield in question.
The problem that I am having is, a few of the angles involving the
copper, as well as all of the dihedral angles are not reported. Does
Amber*, as it is found in Macromodel, treat dihedral angles differently
then Amber7?
I don't have the means to do a full qunatum mechanical analysis to
develop these parameters, so I was wondering if there are any suggestions
how I could obtain these?
I would greatly appreciate any help, and thank you in advance for any
input you might have.
Best Regards,
Armin
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Received on Wed May 24 2006 - 06:07:11 PDT
