[gmx-users] Fwd: charges,resonance and electrostatics

[Omer Markovitch]

>
>
>> There is no non-bonded interaction between these two oxygens, unless you
>> are using an Urey-Bradley potential for the angle, like in the CHARMM force
>> field. Most (if not all) of the standard force fields in Gromacs treat the
>> interaction of these oxygens within an angle definition, which is a bonded
>> term.
>>
>> -Justin
>
> So no coloumb law between the two oxygens?  10x, Omer.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080924/30cee2d9/attachment.html>