[gmx-users] g_hbond account dieletric medium ?

raja raja_28 at fastmail.us
Thu Aug 3 14:52:01 CEST 2006

Hi XAvier,
Thanks again, I meant the resistance caused due to dielectric of water
separating two charged residues. I doubt whether it will allow the
transfer of charge between them in order for hydrogen bond to be

With regards,
On Thu, 03 Aug 2006 09:25:07 +0200, "X.Periole" <X.Periole at rug.nl> said:
> > I have shown hydrogen bond formation between guanidino 
> >side chain of
> > Arginine and carboxylate in sidechain of Aspartate out 
> >my simulation
> > result using g_hbond. Now I see those two residues are 
> >well exposed in
> > solvent. Since g_hbond compute hydrogen bonds based on 
> >only distance and
> > angles, how I can prove that hydrogen bonds formed 
> >between those groups
> > are by overcoming the dielectric medium of waters?
> What do you mean exactly by "overcoming the dielectric
> medium of water" ?
> XAvier
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