[gmx-users] g_sas and g_hbond

Marc Vogt mvogt at es.chem.umass.edu
Mon Oct 18 18:28:27 CEST 2004


Will do, thanks.  Any ideas on why g_hbond is reporting constant
values of hbonds (with some fluctuation) for Protein-Protein hbonds?
I could see that being okay if I was choosing all hbonds since 
protein-protein hbonds would be replaced by protein-solvent hbonds
over time.  But the protein-protein ones clearly drop in my
trajectory.  

thanks,
Marc


> 
> I have just implemented it for the next release.
> If you want it now, get the code from CVS.
> 
> Berk.
> 
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