[gmx-users] buckingham potentials

[sreelakshmi ramesh]

Dear justin,
                  since i am rewritting a force field i am able to write the
c6 and c12 parameter  in force field file but how to do i declare the
parameter B of bucking ham equation .Wat notation should i use for declaring
it in force field file.The parameter C is declared as c6 and A under c12
and how should i declare B.

thanks
sree.



On Wed, Dec 22, 2010 at 10:04 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> sreelakshmi ramesh wrote:
>
>> Dear justin,
>>
>>                   I have no clues  about rewriting a force field so i
>> think i can t proceed with this anymore.
>>
>> thanks a lot for your patient reply.
>>
>
> For the future, you will waste a lot less time (your own, and that of those
> who are trying to help you) if you provide a clear, concise statement of
> what you hope to accomplish in your very first post.  You began this
> adventure seeking help on how to (generically) use Buckingham potentials.
>  What you should have asked was how to use Buckingham potentials within the
> Gromos force field.  Then, instead of swapping ten emails, you would have
> received your answer in one.
>
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
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