March 28, 2024, 06:54:29 PM
Forum Rules: Read This Before Posting


Topic: Steric energy and relations towards torsional angle?  (Read 4340 times)

0 Members and 1 Guest are viewing this topic.

Pregunta

  • Guest
Steric energy and relations towards torsional angle?
« on: October 04, 2006, 11:07:46 PM »
Ok so I have a printout of various integers at various degrees of a rotation.

So going off this formula:

Estrain = Estretch + Eangle + Etorsion + Esteric

I'm to find the torsion angle (which I assume is Eangle).  I'm given my E torsion, my Estretch, and my Estrain, but I don't know how to find Esteric.


The unused values that I'm not sure about are NonbondE and Ebend as well as TotalE - min.


Which of these is steric energy?  Or if none of them are, how do I find the steric energy?

Thanks.

Offline movies

  • Organic Minion
  • Retired Staff
  • Sr. Member
  • *
  • Posts: 1973
  • Mole Snacks: +222/-21
  • Gender: Male
  • Better living through chemistry!
Re: Steric energy and relations towards torsional angle?
« Reply #1 on: October 05, 2006, 11:52:34 AM »
Steric interactions are often called non-bonding interactions, so maybe it's that.  However, I've never seen energy presented in this kind of formula before, so it might be more complicated than that.

Sponsored Links