Quoting Ed Pate <pate.math.wsu.edu>:
> I am trying to model a spectroscopic probe using parm99. Looking at
> the dihedral parameters, there is one set of parameters for the atoms
> X-C-CT-X and three additional for HC-CT-C-O, both of which seem to fit
> my molecule. What rule does Amber follow for multiple possible entries?
I think first specific dihedral (such as HC-CT-C-O) if available, and
then the generic one (such as X-C-CT-X) are used.
regards, Francois
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Received on Wed Oct 03 2007 - 06:07:31 PDT
