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From: sunita gupta <sunita.bio.gmail.com>

Date: Wed, 1 Dec 2010 11:13:03 +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(CÂ°V) = -RT ln [CÂ°(2 pi RT/k)3/2]. Can anyone tell me

what will be the value of CÂ° (standard concentration), if Force constant(k)

is in kcal molâˆ’1Ã…2, Temperature is in Kelivn and R(gas constant) is 1.985

cal <http://en.wikipedia.org/wiki/Calorie>â€‰Kâˆ’1â€‰molâˆ’1.

Many Thanks

Date: Wed, 1 Dec 2010 11:13:03 +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(CÂ°V) = -RT ln [CÂ°(2 pi RT/k)3/2]. Can anyone tell me

what will be the value of CÂ° (standard concentration), if Force constant(k)

is in kcal molâˆ’1Ã…2, Temperature is in Kelivn and R(gas constant) is 1.985

cal <http://en.wikipedia.org/wiki/Calorie>â€‰Kâˆ’1â€‰molâˆ’1.

Many Thanks

-- -- SUNITA GUPTA _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Tue Nov 30 2010 - 22:00:04 PST

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