In gromacs using the commands, command_1
gmx insert-molecules -f run03.pdb -ci CL.pdb -o out.pdb -nmol 119
will distribute CL ions in the system randomly, but how to specify a specific location to put the ions or molecules. For example if my periodic box is $\pu{5*5*10 nm^3}$ I want to put the ions to the location of $\pu{x < 5 nm, y < 5 nm }$ but $\pu{ z > 8 nm}$ (of course randomly but specific) in another words top part of the box I have also tried, command 2
gmx genion -s ions.tpr -o out.pdb -p system.top -pname NA -nname CL -neutral
But this command only replaces the SOL molecules (water) or some another residue in system.
Can someone help me, many thanks may be some other software can edit the pdb file but adding lot of ions one by one is quite annoying.
ip
anddr
functionality. I have not used it, but the documentation makes it seem like this is what these options exist for. See manual.gromacs.org/documentation/current/onlinehelp/…. Even if it works, I would probably stick withpackmol
$\endgroup$-ip
and-dr
function worked thanks $\endgroup$