I'm pretty sure I answered this previously (on 9/14): > I think my main question is why? You really need accuracy beyond 0.00001 > (i.e., 1/100 000 Angstrom)? I guess that's 1 fm? > > Are you running into some problem with geometry convergence? The Open Babel > code (used by Avogadro) trims coordinates to 5 decimal places for XYZ files > to save disk space. > > It's certainly possible to change Open Babel to output more decimals, but I'd > be curious what problem you're encountering. > > Thanks, > -Geoff
--- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ Slashdot TV. Video for Nerds. Stuff that Matters. http://pubads.g.doubleclick.net/gampad/clk?id=160591471&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
