[gmx-users] Energy minimization

Александр Журавлев beneor at mail.ru
Fri Mar 23 11:57:44 CET 2007

Hie! When I try to make energy minimization of protein-ligand system in water box, after beginning the protein immediately moves out of water box leaving a hollow in water and ligand in the hollow, after that minimization continues. How could it be explained?

Best regards!

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