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 wrote:
>
>
On 9/30/14 3:36 AM, Mahboobeh Eslami wrote:
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.
An average structure mi
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.
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