[gmx-users] Force constant - units

Thomas Schlesier schlesi at uni-mainz.de
Tue Jul 3 19:20:21 CEST 2012


You have 1mol of your system.

conversition factor for
kJ/(mol*nm) -> pN   is approx   1.661


Am 29.06.2012 10:33, schrieb gmx-users-request at gromacs.org:
> Dear Gmx Users,
>
> How to recalculate the force constant from the harmonic potential:  1
> [pN/A] into [kJ/mol nm2]  ? Where is the [mol] here?
>
> Thanks,
>
> Steven




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