Hello all.
I was going through the tutorial given in
http://ambermd.org/tutorials/advanced/tutorial23/index.html#Introduction
I plan to use this for my molecule.
As you know the GAFF forcefield scales 1-4 bonded interactions by a certain
factor.
Can you please tell me how is this included in the ab initio calculations
?. There is no mention of this in the tutorial.
Please correct me if I am mistaked I am not so familiar with QM
calculations.
Thankyou
Arun
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Received on Tue Oct 24 2017 - 18:00:03 PDT
