Re: Conversion for forces

From: Michael Grabe (Michael.Grabe_at_ucsf.edu)
Date: Tue Jun 20 2006 - 15:42:50 CDT

Gianluca,

kcal/mol is an energy so kcal/mol/A should be a force
kcal/mol/A^2 is probably a force constant for a spring.

at 298.15 K
1 KT = 2.478 KJ/mol = 0.5923 Kcal/mol

also we have
6.97 pN*nm = 1 Kcal/mol

and if i am correct at 298 K we have:

so 4.1 pN*nm = 1 KT.

-michael

On Jun 20, 2006, at 12:05 PM, Gianluca Interlandi wrote:

> Dear all,
>
> CHARMM outputs forces in Kcal/Mol/A^2 (AKMA units). Does anbody know
> how
> to convert it to pN?
>
> Thanks a lot,
>
> Gianluca
>
> -----------------------------------------------------
> Dr. Gianluca Interlandi gianluca_at_u.washington.edu
> +1 (206) 685 4432
> +1 (206) 714 4303
> http://biocroma.unizh.ch/gianluca/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------
>
>
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