[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" ?


More information about the gromacs.org_gmx-users mailing list