[gmx-users] OPLS parameters for O2

[Jochen Hub]

The O2 model pointed out by David is certainly ok for many applications, 
but Luca Monticelli did some careful work on testig O2 models. That is 
worth taking a look as well.

Cheers,
Jochen

Am 10.05.19 um 00:42 schrieb Shadi Fuladi:
> Hi,
> 
> I'm trying to test molecular oxygen diffusion in electrolytes using OPLS
> force field. Is there any O2 parameters tested with OPLS AA forcefield?
> 
> Thanks,
> SF
> 

-- 
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Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189
http://cmb.bio.uni-goettingen.de/
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