[Molecularmechanics] [BioSimGrid] coincidence?

[Kaihsu Tai]

Hello -- We at BioSimGrid has been thinking about the same 
problem as this mailing list, but I have just discovered 
this list today!

I have tried to write parsers for input and topology files
for several MD packages, and have found it difficult to do
without teaching the parser about the forcefield.

The attached is my thought on this matter, but it is
probably now pre-empted by earlier discussions on this list.
http://www.biosimgrid.org/docs/2004/01/format.txt

The BioSimGrid schema is at 
http://www.biosimgrid.org/docs/2003/0630/biosimdb-v3.pdf

We have also recently submitted an Application Note 
manuscript to the journal Bioinformatics; the preprint is 
available upon request.

Cheers.