[gmx-users] unit conversion of a force constant

Lara Bunte lara.bunte at yahoo.de
Fri Jun 1 15:14:04 CEST 2012


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

More information about the gromacs.org_gmx-users mailing list