On Wed, Sep 2, 2009 at 8:11 PM, N David Brown<[email protected]> wrote: > Given the 677 compounds tested and the proximity to the TSAR values, I > think that's an odd comment. It's an approximation, true, but for the > drop in computational cost I find the accuracy astounding.
So, just out of curiosity... What size of error are we talking about here? What are we comparing against anyway? What is the empirical vanderwaals volume of some molecule? Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
