Computational Chemistry 2.5 - MM Bond Stretch Terms

Short lecture on bond stretch energy terms in molecular mechanics.
For each bond in a system, the energy is a bond spring constant times the square of the difference between the bond length and the equilibrium bond length. Two empirical parameters are needed for each bond.
Notes Slide: i.imgur.com/FzM1gcJ.png
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[@ThiagoBenazziMaia]

Thank you, really, really thank you. that energy.py teaches more than any other information I have read on the internet so far. And I have looked a lot.

[@TMPChem]

Lol. Indeed. Comp chem is enough of a niche topic that it starts to become hard to find things with simple web searches. For the technically inclined, sometimes a few lines of code are worth their weight in gold.

[@mehdiirani2447]

A harmonic oscillator has a potential of 0.5k(r-req)2, where k is the force constant. AMBER appears to use another force constant, K (K = 0.5k). On the left-hand side of the board, you wrote the formula using the second force constant. On the right-hand side, you used the first formula. In this video, what force constant are you referring to?