GROMACS version: 2021.2
GROMACS modification: Yes/No
Hi there. I’m trying to add CdCl2 to my box at a concentration of 50nM.
I have used this command:
gmx genion -s ION.tpr -o box_sol_ion.gro -p topol.top -pname CAD -nname CL -neutral -conc 0.00000005
Does anyone know it is correct?
Unless your box is astronomically large, you’re not going to be able to add 50 nM of anything to a system.