[gmx-users] how can i restrain Zn ion during simulations

[vijayakumar gosu]

Dear gromacs users,


I am currently running simulations for protein-RNA complex. However i have
to include one Zn ion which is coordinated by 4 cysteine residues. when i
performed energy minimization itself zinc displaces. How can i restrain to
Zn, or to freeze Zn during simulations.

Thanks in advance


Best,

Vijayakumar Gosu