AMBER Archive (2006)

Subject: Re: AMBER: DOTA-Lanthanide complexes in Amber

From: David A. Case (case_at_scripps.edu)
Date: Wed Aug 16 2006 - 11:59:22 CDT

On Tue, Aug 15, 2006, opitz_at_che.udel.edu wrote:
>
> I have been working on incorporating Gadolinium bound to its DOTA ligand
> into Amber 7. The big problem that needs to be worked out with this is
> the limit on the number of bonds a given atom can form using Amber 7.

Can you be more explicit: what is the problem with a large number of bonds?
How many do you need, and where is this imposed? I think this limit is
not important (may even be fixed in later versions of Amber).

...thanks....dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu