[gmx-users] boron atom

[Justin Lemkul]

On 3/12/15 9:16 AM, Faezeh Pousaneh wrote:
> Hi,
>
> Does any one know  which force filed contains 'Boron' atom? I need it for
> my simulation, molecule sodium tetraphenylborate.
>

None of the built-in force fields have boron.  So either you need to obtain 
parameters that are published or derive them yourself.

-Justin

-- 
==================================================

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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