[CP2K:522] Re: Newbie Questions

[Teodoro Laino]

On 7 Jan 2008, at 18:33, Jack Shultz wrote:

> I've gotten too far to give up easily.
Well that's good.. being motivated is more than half of the job!

>  At this stage of the game I'm just trying to formulate a plan and  
> vet this plan out among the proverbial experts in molecular modeling.
As I said I'm not an expert of docking.  For sure the ideas behind  
(if not already explored by other people (that's why I told you to do a
deep search in literature and around!!)) sounds at least logical..  
whether they will also work in the real world  it's a totally  
different story.
As you said, I suggest you to try with a small class of problems  
already well known/studied and see if you can reproduce the same  
results.
Even though it should not work at the very first stage, this will  
offer you insights for possible solutions to the problems you may  
encounter with
this approach.

cheers,
Teo
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