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After running an MM2 minimization, I get irrational results. For example, some atoms get pushed much too far away creating really long bonds.

Rich Talbot
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Product: Chem3D

Problem:

After running an MM2 minimization, I get irrational results. For example, some atoms get pushed much too far away creating really long bonds.


Solution:

It could be the that the starting geometry of the model is already too close to a saddle point or local minimum. Try moving an atom to a different location and then restart the minimization.

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