AMBER Archive (2006)

Subject: Re: AMBER: united atoms

From: Bill Ross (
Date: Tue Mar 28 2006 - 11:02:01 CST

> I have read that leap doesn't handle united atoms?!

Leap only handles planar improper torsions, and united atom has
a need for nonplanar ones to compensate for omitted H's. That is,
you can define a nonplanar improper, but can't reasonably predict
wheter it will be applied in the right direction.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to