Dear gromacs users, I have NaCl-water system of finite concentration .I want to calculate water-water hydrogen bond in the first solvation shell around ion..So I used g_hbond -shell option.For single ion in water,its easy to calculate..But say,for water-water hydrogen bonds around two Na+ ions,it is saying to Select one atom for shell. Although I have more than 1 Na+ ions and I want to see water-water hydrogen bond around all Na+ ions simultaneously.Is it possible to take solvation shell of each ion at a same time?
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