[gmx-users] com calculation

[Christoph Freudenberger]

David wrote:
> It's more like a centre of geomtery then...
Ok... makes sense that way. but you must omit the term
'center of mass' is a little bit confusing in this context ;-)

> Anyway, what's the meaning of all this? In my opinion neither are
> meaningful quantities... 
Maybe... I just want to use it as a kindof generalized point
of reference for the sdf.

regards
-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785