[gmx-users] hydrogen bond calculation problem

2013-11-11 Thread 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

[gmx-users] Chlorate ion force field

2013-07-15 Thread Sushma Yadav
Dear users, How do I get the force-field for ClO4- ion in the gromacs? Thanks in advance. -- gmx-users mailing listgmx-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! * P