[gmx-users] Keeping portions of a protein fixed during energy minimization and MD simulations

[shyamala iyer]

Hi all,

I have a question regarding keeping certain protein residues fixed
during EM and MD simulations. I wish to keep a portion of the protein
fixed while minimizing the residues close to the ligand and ligand
binding site. Is there a way to accomplish this?

Thanks,

Shyamala Iyer

Department of Microbiology,
U Washington, Seattle