[gmx-users] minimization for final configuration

hi GMX users i have simulated the protein-ligand complex by gromacs for 20ns. The average for the final structure of 18 to 20 nanoseconds has been achieved.is minimization for the final average structure required?Sincerely. -- Gromacs Users mailing list * Please search the archive at

Re: [gmx-users] minimization for final configuration

Indeed, it is unlikely that averaged coordinates of certain structure versus time correspond to something physically meaningful. How do you average them, by the way? And what for, please? Dr. Vitaly V. Chaban Виталий Витальевич ЧАБАН On Tue, Sep 30, 2014 at 12:47 PM, Justin Lemkul