[ghemical-devel] Gamess / Toggle Patches

[Tommi Hassinen]

On Mon, 27 Mar 2006, Donald Ephraim Curtis wrote:

> Tommi, i'm just curious why there is even a "max" distance included
> anyways.

That can be useful in molecular dynamics, where molecules often drift 
apart from each other ; assigning a max distance constraint will keep the 
molecules together (and make them collide). It can also be useful if you 
study a complex (say, a protein + ligand system) which easily breaks but 
you want to keep it intact.

 	Tommi