[gmx-users] unit conversion of a force constant

[Christopher Neale]

Your conversion is correct (Although you should use 1 cal=4.184 J (not 4.19)),
and yes, this is an absurdly strong force constant. I'm not sure what you mean by
a physically realisitic value though.

-- original message --


If I have a force constant 287 kcal/(mol * A^2), the A stands for Angstrom and I want to calculate this to kJ/(mol * nm^2), is it correct that I have to multiply 4.19/0.01 = 419 to the force constant?


Is ithis true:  287 kcal/(mol * A^2) = 120253 kJ/(mol * nm^2)

Could this be a physical realistic value or is this a hint, that 287 kcal/(mol * A^2) makes no sense for a force constant?

Thanks for helping
Greetings
Lara
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