[gmx-users] iodine non-bonded parameters for charmm36 force field

[Justin Lemkul]

On 5/27/15 4:32 PM, Yunlong Liu wrote:
> Hi all,
>
> I am trying to build up a model with iodide ion but I don't know where I can
> obtain those non-bonded parameters for this ion. I am using CHARMM36 force
> field. Is there any suggestions for that. Thank you.
>

There aren't any official CHARMM parameters for iodide.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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