there has been previous discussion on the list about this.
it's best to create something and see what leap actually does.
if my memory is right, leap replaces the ones with the same periodicity
but may end up using terms from both. if the one generic has something
that matches in the specifics (in terms of periodicity) then only the
terms for HC-CT-C-O will be used.
here I insert my usual warning against using parm99 for anything
related to proteins.
On 10/1/07, Ed Pate <pate.math.wsu.edu> wrote:
>
> Amber community:
>
> 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?
>
> Thanks for the help.
>
> Ed Pate
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Received on Wed Oct 03 2007 - 06:07:33 PDT
