[lammps-users] How to bind the charges.

Dear all,

I would like to simulate how positive ions interact with DNA polymer.
The structure is like some cylindrical shape attached to negatively charged particles
with the form of double Helix.
I put cylinderical rod by fix indent command, then
My question is about how to bind the negatively charge molecules.
In my simulation box, I have positively charged ions.
After negatively charged particles around the cylinder interacting with positive ions,
both negative and positive ions move.
I was thinking about using fix freeze to fix these negatively charged molecules
at the initial positions, but my atom_stlye is full type.
fix_freeze is a part of granular type package. So, I was unsuccesful for doing this.
My another thought is : if I increas the mass of the negatively particles much bigger than
the positive ions, the negatively charged particles moves very slowly....
However, I think that this is not a proper way to do it.
If you know how to bind these negatively charged molecules at a fixed
initial positions around cylinderical DNA rod,
please let me know.

Thank you for any comments from you.

Dear all,

I would like to simulate how positive ions interact with DNA polymer.
The structure is like some cylindrical shape attached to negatively charged particles
with the form of double Helix.
I put cylinderical rod by fix indent command, then
My question is about how to bind the negatively charge molecules.

there are multiple ways, that have been discussed on this list
repeatedly. you can use fix setforce to clear out all forces
on the particles that you want to freeze. if they have no initial
velocities, they will not move then. or you can exclude them
from fix nvt/nve/xxx and propagate only those particles that
are supposed to move.

cheers,
   axel.