Question: Energy minimization using Avogadro
gravatar for shilpa.janarthanan
22 months ago by
shilpa.janarthanan0 wrote:

I have a homology model of a protein. I have to do energy minimization for the same, I have chosen to do this using Avogadro software. My doubt is, should I start "Optimize Geometry under Select menu" or "Auto Optimize tool"? I chose Avogadro because, when I did the same using GROMACS, the protein chains got split and looks totally disrupted. When I tried using ArgusLab to optimize Geometry, I ran like almost 30 steps, still the Geometry did not converge.

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