Computational Chemistry 2.5 - MM Bond Stretch Terms

[@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?