Re: [Rdkit-discuss] UFF Forcefield parameters - where are they defined?

[Greg L. <gre...@gm...>]

Jean-Paul,

On Tue, Feb 14, 2012 at 11:41 AM, JP <jea...@in...> wrote:
>
> A quick question -- where are the UFF forcefield parameters defined?
> In particular - I am interested in allowable bond lengths between different
> atom types.

They are in $RDBASE/Code/ForceFields/UFF/Params.cpp
http://rdkit.svn.sourceforge.net/viewvc/rdkit/trunk/Code/ForceField/UFF/Params.cpp?revision=1528&view=markup

-greg