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
--
---------------------------------------------------
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/
---------------------------------------------------
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a
mail to gmx-users-requ...@gromacs.org.
