AMBER Archive (2005)

Subject: Re: AMBER: tkbc2

From: David A. Case (case_at_scripps.edu)
Date: Tue Nov 08 2005 - 10:50:51 CST

On Mon, Oct 31, 2005, Mingfeng Yang wrote:
>
> Can somebody tell me what is the variable "tkbc2" in file
> $AMBERHOME/src/nmode/rmsf.f ?

This is kT/c**2 in cgs units (grams, in this case)

Here, k is Boltzmann's constant, T is 300K, and c is the speed of light.

(To go further, "avo" [Avogadro's constant] converts atomic mass units (what
Amber uses) to grams. "cmtoa" is centimeters to Angstroms, and the 2*pi
factor that converts Hz to angular frequency is added at the end.

...good luck...dac

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