Hello,
See the following:
http://ambermd.org/Questions/vdwequation.pdf
http://ambermd.org/Questions/vdw.html
Those should clarify.
Good luck!
Jason
On Thu, Nov 18, 2010 at 2:32 PM, Eliac Brown <eliacbrown.yahoo.com> wrote:
> Dear Sir/Madam
> I am a beginner in using AMBER. I found in amber file format, for
> non-bonding interaction:
> 'RE' van der Waals radius and the potential well depth parameters are read.
> In other amber related pages, it says atomic radius and well depth
> In a third party, it says amber radius and well depth or sigm and well
> depth
> what is the correct description for the first term?
> I know r(min)= 2^(1/6)*sigm
> thanks
> E. Brown
>
>
>
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Nov 18 2010 - 14:30:03 PST
