[gmx-users] g_hbond account dieletric medium ?
X.Periole
X.Periole at rug.nl
Thu Aug 3 09:25:07 CEST 2006
> 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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