[dnd] MD aspect of DND

[J.W. Bizzaro]

SooHaeng Yoo wrote:
> 
>  Currently, if you want to take a part in the development of DND program,
> you need CVS login id. Therefore, if you want CVS login id, please contact
> with Jeff (bizzaro@bc.edu). I will make snapshots for someone who doesn't
> have CVS login id. If you hesitate to register DND program developer list
> and mailing list, you can use snapshots firstly.

As Justin would have told you, if I did not, he is a Loci developer and has an
account on TOL.  So, he's okey dokey :-)

>  The dnd version 0.5.1 ,which is in CVS, has a bug of the calculation of
> potential energy. But I use water box in which there are 125 tip3
> molecules to test the molecular dynamics simulation in DND.
> 

I'm curious about the algorithm and force field being used for DND.  I'm
familiar with CHARMm and AMBER, which are both commercial.  Many of the most
common MD programs in fact have a common "ancestry".  Where does DND fit in? 
Are there any journal references to check out?


:-)
Jeff
-- 
J.W. Bizzaro                  mailto:bizzaro@bc.edu
Boston College Chemistry      http://www.uml.edu/Dept/Chem/Bizzaro/
--