[gmx-users] Adding ions

[Roshan Shrestha]

 For my system which has a net charge of -3, I wanted to add NaCl to a
concentration of 0.1 M. So, I used *gmx genion -s ions.tpr -o 1aml_ions.gro
-p topol.top -pname NA -nname CL -np 3 -conc 0.1 -neutral*
I've got a feeling that to make my system neutral, I should be using only *gmx
genion -s ions.tpr -o 1aml_ions.gro -p topol.top -pname NA -nname CL -conc
0.1 -neutral*
So, is using the previous command incorrect ?
Like, does -neutral in the command *gmx genion -s ions.tpr -o 1aml_ions.gro
-p topol.top -pname NA -nname CL -np 3 -conc 0.1 -neutral *adds more ions,
or it won't any since the system is already neutralized by adding 3
positive Na ions.

-- 
Roshan Shrestha
M.Sc (Physics)
Central Department of Physics, Tribhuvan University
Kathmandu, Nepal