> 1-4: angle 914 916 duplicates bond ('triangular' bond) or angle
> ('square' bond)
This warning can be ignored, since you are building a triangle
with your bonds on purpose.
> But, I think I actually need to remove this angle in order to run the
> simulation to avoid the following error upon trying to do an energy
> minimization:
>
> EXTRA POINTS: nnb too small!
> nnb,ntot = 3456 7776
I think this has to do with charge-only points, and sounds like
a bug. You may be able to avoid it by using a restraint instead
of a bond to replace the angle potential. I don't think you can
remove an angle from the calc altogether.
Bill
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Received on Thu May 04 2006 - 17:10:38 PDT
