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

[Justin Lemkul]

On 5/28/15 1:12 PM, Yunlong Liu wrote:
> Hi Justin,
>
> I am sorry to miss your email and send to the mail list another one.
>
> I understand that there are no official parameters but is there any other source
> that I can look up?

Look at early papers by Beglov and Roux, in which they derived the original 
monovalent ion parameters for the additive CHARMM force field.

-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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