Re: rotating constraints constant

From: himanshu chandola (beu99419_at_ccsun50.iitd.ac.in)
Date: Wed Mar 03 2004 - 05:57:11 CST

hello -
well the answer depends on how you interpret the mol in kcal/mol/A^2. I
interpreted it as 'molecule' - is it mole here ?

thanks

himanshu
----------------------------------------
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Neo: No.
Morpheus: Why Not?
Neo: Because I don't like the idea that I'm not in control of my life.

On Tue, 2 Mar 2004, [iso-8859-1] Jérôme Hénin wrote:

> Le mercredi 3 Mars 2004 09:12, vous avez écrit :
> > hello everyone -
> > Perhaps somebody has an idea about this problem!
> > I need to use rotating constraints - but the stiffness constant for the
> > force applied has units of kcal/mol/A*A . Now i need around 10 N/m
> > stiffness constant. These two units have a conversion factor of around
> > 10exp(23).
>
> I find a conversion factor of 0.7 between kcal/mol/A^2 and N/m. Are you sure
> of your calculation?
>
> Jerome
>

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