[gmx-users] Hydrogen bonding

[Bert de Groot]

Daan van Aalten wrote:

> Resolution != error is not an entirely correct statement. Yes, the
> B-factor is an indication of disorder, but on top of that in a 4 Angstrom
> structure there can easily be an uncertainly of a few ten's of Angstroms
> in the coordinates, regardless of how high or low your B-factors are.

it is very reassuring to see that the xtallographers among us put some errorbars
on their coordinates. But I'm sure that Daan meant tenth's of Angstroms, and not
ten's of Angstroms..? :-)


Bert

____________________________________________________________________________
Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11 
37077 Goettingen, Germany

tel: +49-551-2011306, fax: +49-551-2011089

email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
____________________________________________________________________________