[AMBER] What is the Value of C° (standard concentration) in calculating Free Energy

From: sunita gupta <sunita.bio.gmail.com>
Date: Tue, 21 Dec 2010 12:26:52 +0530

Hello Everyone

After going through many articles on free energy calculation, I came across
a term called "ACorrection" which need to be calculated for accurate value.
Acorrection= -RT ln(C°V) = -RT ln [C°(2 pi RT/k)3/2]. Can anyone tell me
what will be the value of C° (standard concentration), if Force constant(k)
is in kcal mol−1Å2, Temperature is in Kelivn and R(gas constant) is 1.985
cal <http://en.wikipedia.org/wiki/Calorie> K−1 mol−1.

Many Thanks 

-- 
-- 
SUNITA GUPTA
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Received on Mon Dec 20 2010 - 23:00:03 PST
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