Can you paste your ATP pdb file and your prepin file?
Best regards.
Fenghui Fan
--- Ed Pate <pate.math.wsu.edu> wrote:
> Dear Amber community:
>
> I am tring to simulate an ATP analog. I generated
> the .prep file using
> antechamber. The analog has a ring structure
> hanging of the ribose, with
> several sp2 atoms in the ring. When I look at my
> leap.log file, there are
> several warning statements "No sp2 improper torsion
> term ..." for the sp2
> atoms in the ring, plus one for the adenine ring
> itself. They were not
> generated by antechamber. Does the warning indicate
> that amber has
> recognized the problem and fixed it, or do I need to
> include them in
> my .prep file?
>
> Thanks for the help.
>
> Ed Pate
>
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Received on Wed Jan 10 2007 - 06:07:29 PST
