> I would like to save my molecules as a .xyz file, but this only gives me xyz
> coordinates with up to 5 decimal places. Is there any way that I can increase
> the number of decimal places outputted by Avogadro? Thank you!
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
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