[gmx-users] unit conversion of a force constant
chris.neale at mail.utoronto.ca
Sat Jun 2 02:27:12 CEST 2012
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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users