AMBER Archive (2008)

Subject: Re: AMBER: nscm code

From: Andreas Svrcek-Seiler (
Date: Fri Oct 10 2008 - 06:37:09 CDT

If you want so see a "short" version of code removing overall translation
(easy) and rotation (a little bit less easy) you could look into

Basically, you calculate the toral angular momentum
as L = sum (r_i x p_i) which is related to the
"current axis of overall rotation" via
L =

giving up, please have a look at
...which very briefly describes what happens.
If you really want to understand what happens you should look that up
in some book on classical mechanics (e.g. Goldstein's).

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)