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* -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
