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Force Fields

Force Fields. Force Field general. More general a Force Field consists of data and a set of associated rules that can be used to describe a system and predict its future. Force Field general.

deirdre-davenport
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Force Fields

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  1. Force Fields

  2. Force Field general More general a Force Field consists of data and a set of associated rules that can be used to describe a system and predict its future.

  3. Force Field general More general a Force Field consists of data and a set of associated rules that can be used to describe a system and predict its future. So you can use a Force Field to say if a system is normal or exceptional (for a molecule that would be in or near the energy minimum versus in an excited state) and how a system will develop (for a molecule that would be calculating the energy minimum given an excited state).

  4. Part 5A FF in chemistry - bioinformatics

  5. Force Field to calculate the energy minimum of a protein molecule? Hint, we cannot use QC, so we must make approximations. One idea would be to decompose the total force on each atom in sub-forces like electrostatic attraction/repulsion, etc. Which sub-forces can you think of?

  6. Bond-length sub-force If we assume the bond (length) and the forces over the bond to behave like a spring And please remember that the energy is the integral over the force. This will come back in the Molecular Dynamics seminar.

  7. Pictures copied from • www.almanac.com blogs.parfumswinkel.nl • www.ucsd.edu bodyfuturist.com • www.weerplaza.nl www.cancer.gov • www.cawcr.gov.au • www.crystalinks.com • www.mgms.org • Brucetarrpaintings.org • kniga-ryby-rossii.prv.pl • Nothinginbiology.org

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