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normal Lysozyme elastic network

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10 years 7 months ago #2093 by nivedita
Lysozyme elastic network was created by nivedita
Hi all,
My protein is simple lysozyme in water and i want to do coarse grain simulation. In martinize.py script By default it is given 1000 Kj/mol force constant but there is an option -pf to choose Force constant, how i choose correct force constraint for my protein?



thanks in Advance

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10 years 7 months ago - 10 years 7 months ago #2102 by Clement
Replied by Clement on topic Lysozyme elastic network
We recommend to use the ElNeDyn approach; use one of the elnedyn force fields available in martinize.py (elnedyn22 or elnedyn22p). You can read about it in the "ElNeDyn" section here (sorry, couldn't get the direct link).
Last edit: 10 years 7 months ago by Clement.

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  1. Force Fields
  3. Proteins
  5. Lysozyme elastic network
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