> On Oct 2, 2017, at 4:18 AM, Alessandro Mariani <alessandro.mariani.uniroma1.it> wrote:
>
> Hello,
> as far as I can get, the conversion is something like:
> 1 kcal/(mol*A*e) = 4.184 kJ/(mol*A*e) =
> (4184/1.6022*10**-19)*V/(mol*A) = (4184/1.6022*10**-29)*V/(mol*m)
> = 2.61*10**32 V/(mol*m)
>
> Now i really do not understand why that "mol" is there. What is it supposed
> to be? Avogadro's number? The number of moles in the box? The number of
> molecules in the box? Anyways, a conversion factor in 10**32 is
> astonishing, and even if mol is substituted with Avogadro's number, I
> get 1 kcal/(mol*A*e)
> = 4.34*10**8 V/m that is a nonsense to me. Can please someone give me an
> hint? And, maybe, explain to me why to not use SI units in Amber?
I agree on the SI units part. Unfortunately AMBER has it's origins in the United States and nobody has yet figured out a way to convince Americans why the rest of the world uses SI units. ;-) :-(
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Received on Mon Oct 02 2017 - 07:00:03 PDT
