[gmx-users] OPLS parameters for O2
sfulad2 at uic.edu
Mon May 13 21:48:43 CEST 2019
Thanks Jochen and David,
Can I have access to the itp file associated with O2 parameters used in one
of these papers?
i'm not sure how to work around the dummy atom, and partial charges.
On Thu, May 9, 2019 at 5:42 PM Shadi Fuladi <sfulad2 at uic.edu> wrote:
I'm trying to test molecular oxygen diffusion in electrolytes using OPLS
> force field. Is there any O2 parameters tested with OPLS AA forcefield?
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