[ghemical-devel] Re: constraints added

[Donald Ephraim Curtis]

Yeah, np, i'll let you know when the patch is ready.  We have a few
gamess updates we need to merge (so that constraints are in the input
deck generation) and we need to test still.  I should hopefully be able
to get most of this done by next week.

On Wed, 2006-03-22 at 14:33 +0200, Tommi Hassinen wrote:
> Hello,
> 
> the constraints are now added ; the only impementation is now for the 
> tripos force field (the default one) ; I will add other implementations 
> later (and perhaps also for QM engines).
> 
> The constraints have the added flexibility of (optionally) separate 
> minimum and maximum distances. The "project view" is not yet fixed to show 
> the two values ; Donald can you add this fix?
> 
> Regards,
> 
>  	Tommi
>