[gmx-users] boron atom

[Faezeh Pousaneh]

OK, thanks Justin.


Best regards


On Fri, Mar 13, 2015 at 1:52 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>
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> Justin A. Lemkul, Ph.D.
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