[gmx-users] buckingham potentials

Justin A. Lemkul jalemkul at vt.edu
Wed Dec 22 05:34:29 CET 2010



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

-- 
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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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