Finding Force Field Parameters for Molecular Modeling | Sigma & Epsilon

[snow]

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!

 

[PerennialII]

... actually seems pretty difficult to find any online (if do some fitting etc expands a bit). What have come across & stored:

http://www3.interscience.wiley.com/cgi-bin/abstract/33880/ABSTRACT?CRETRY=1&SRETRY=0
http://arxiv.org/PS_cache/cond-mat/pdf/9805/9805048.pdf
http://www.biochemtech.uni-halle.de/PPS2/course/section7/os_non.html#lj

what atoms, solids, compounds ... , did you've in mind? I've a collection of papers about the topic where can seek some specific values.

 

[snow]

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 can't access the article on wiley page though.

 

[PerennialII]

Weird ... I can't access that Wiley one myself anylonger . 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)?

 

[snow]

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.