[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
effected.
With regards,
B.Nataraj
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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raja
raja_28 at fastmail.us
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