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Molecular modeling

  1. Feb 3, 2006 #1
    I am looking for some force field parameters for nonbonded forces between atoms.

    In most molecular modeling programs Lennard-Jones function is used to calculate Van der Waals forces where sigma and epsilon are constant values for a pair of atoms. But i cannot find them anywhere.

    Or if anyone has complete force field parameters (bonded and nonbonded interactions) i would be more than happy to have it!
  2. jcsd
  3. Feb 5, 2006 #2


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  4. Feb 10, 2006 #3
    Thank you for your links!
    The last one looks the most interesting to me.
    I am interested in organic compound.. so mainly C H O N P S elements.

    I cant access the article on wiley page though.
  5. Feb 11, 2006 #4


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    Weird .... I can't access that Wiley one myself anylonger :uhh: :rofl: . I can PM/email you a couple of related reports etc. about LJ parameters have collected containing those elements if you need some more specific info (something have collected along the way for a basis of own work)?
  6. Feb 14, 2006 #5
    Ok i found that AMBER force field parameters are avalible on their homepage: http://amber.scripps.edu/ and there is also a link to some other page where they have a nice file: http://www.chpc.utah.edu/~cheatham/cornell_all_prm

    But anyway i would like more LJ parameters if you have.. see PM please.
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