[gmx-users] wrong angle g_hbond in manual?

David van der Spoel spoel at xray.bmc.uu.se
Mon Sep 13 15:06:39 CEST 2004


On Mon, 2004-09-13 at 14:53, Pim Schravendijk wrote:
> Hi all,
> 
> The cutoff value for the angle alpha in chapter 8.10 of the manual 
> 
> alpha <= 60 degrees (p 162 of 3.2 version manual)
> 
> seems to be incorrect, it should be 30 degrees, just as the "acut" value
> that is used in the program itself. Or am I missing some logical thinking
> step?
No thanks, I changed the default angle to better reflect common practice
in the field. The manual shall be updated.
> 
> Greetings, Pim
> 
> --
> Pim Schravendijk - PhD Student
> Max Planck Institute for Polymer Research
> http://www.mpip-mainz.mpg.de/~schraven/
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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