[gmx-users] Hydrogen bond calculation

[ISHRAT JAHAN]

Dear all,
I have done the MD simulation of protein-water-osmolyte. Now I want to
calculate the number of hydrogen bond formed between water and osmolyte in
the first hydration shell of the protein. Can anyone tell me how to
calculate this?
Do I have to make the index of water and osmolytes molecule in the first
hydration shell? How do I make the index? kindly advise the proper steps.
Thank you
-- 
Ishrat Jahan
Research Scholar
Department Of Chemistry
A.M.U Aligarh