Introduction to Molecular Mechanics Part 4: Cross Terms Accuracy and QM/MM

We discuss cross-terms in the more accurate force fields, how to get parameters, how accurate force field methods are, and an introduction to hybrid quantum mechanics / molecular mechanics (QM/MM) methods

[@user-qk3iw9gp8s]

Greetings from Taiwan! Since I've been working with the OPLS force field recently, it's been really insightful to understand what those parameters represent. The approaches used in force field methods have been very inspiring. Thank you for your great effort!

[@DavidSherrill1]

Oops, there's an error near the end... I have "Class I" and "Class II" force-fields reversed

[@mckinleypaul6943]

Now that she can account for cross terms and polarization, of course Onyx is excited to do some molecular mechanics!

[@eirinlandsem9960]

Thankyou so much for this!

[@muralidharpandey6074]

Please give some about free software for QM/MM calculation for academic purposes