Dear all.
Hi.
I want to do umbrella sampling MD along the reaction coordinate between
protein and
the center of ligand molecule.
So I need to set a dummy atom on the center of ligand molecule.
How should I put a dummy atom in pdb file in Amber8?
Could you please give me any suggestions?
Thank you.
Acci Okabe
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Received on Wed May 24 2006 - 06:07:10 PDT
