[gmx-users] g_hbond account dieletric medium ?

raja raja_28 at fastmail.us
Thu Aug 3 05:32:54 CEST 2006

Hi all,
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?

With thanks!
  raja_28 at fastmail.us

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