(Long ago, in a galaxy far, far away.)
You have made grey_whiskers purr.
Cheers!
F@H had a project that solved for Schroedingers Equation last year on these proteins!
I still remember the basics but realize that I can not keep up with real math any more. Still, nice to stay in touch with the smart folks.
If you have a spare computer to toss into the effort please join us. It is really a great way to make use of the spare cycles on your system.
Better yet, get involved and become a beta tester here:
http://forum.folding-community.org/ftopic3045.html