Re: [gmx-users] Targeted Energy Minimization

On 5/11/2010 4:53 PM, Yao Yao wrote: 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. I'm not sure, but freeze groups + EM might

[gmx-users] Targeted Energy Minimization

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, Yao -- gmx-users mailing listgmx-users@gromacs.org http