Hi, after using genion -conc 0.1
certain number of Na and Cl were added in solvent. but when I tried to calculate back, namely, based on the number of Na and Cl, the number of water molecular and the box volumn, but seems can't come back, I mean, can't obtain the result of 0.1mol/L. I read the manual, "...the specified concentration as computed from the volume of the cell..." the cell? Has anyone tried to calculate the concentration back? ( I guess might the way I calculate was wrong? the Avogadro's Constant = 6.0221415 × 10^23 mol-1) Thanks with best regards, lina -- 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
