Re: dihedral force constant

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Tue May 27 2008 - 20:38:40 CDT

Easy answer:
Because it's not a force constant. Look at the expression for the
potential (in the same file, usually).
Jerome

On Tue, May 27, 2008 at 7:38 PM, <jfgaff_at_ncsu.edu> wrote:
> Dear all,
>
> Easy question:
>
> In the parameter file it states the the force constant units for dihedrals
> are kcal/mol. Why is the force constant for the dihedrals not
> kcal/mol/rad^2? Wouldn't we expect the units of bends and dihedrals to be
> the same? It seems to me that kcal/mol would be the units of a stretch
> bend.
> best,
> jg
>
>

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