[gmx-users] Number of hydrogen bonds formed by water in the solvation shell

[Huafeng Xu]

I am trying to calculate the number of hydrogen bonds formed by each
water molecule in the solvation shell of a spherical solute. g_hbond
with -shell option only allows me to count the number of hydrogen bonds
formed between donors and acceptors BOTH in the solvation shell.  Is
there a hack that I can use to calculate what I want? Thank.
  
Huafeng
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