[gmx-users] hydrogen bond calculation problem

[Sushma Yadav]

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?


Thanks in advance.

Regards,
*Sushma*