[gmx-users] Targeted Energy Minimization

Yao Yao yao0o at ymail.com
Fri Nov 5 06:53:05 CET 2010

Hi Gmxers,
Is that possible that in mdp file, only a specifically-targeted part inside/of the protein is energy minimized (EM)? Like, just wanna EM the ligand or one out of the two proteins in protein-docking.
Thanks in advance,

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