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

shyamala iyer shyamala.iyer at gmail.com
Thu Aug 28 01:44:51 CEST 2008

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?


Shyamala Iyer

Department of Microbiology,
U Washington, Seattle

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