Omer Markovitch wrote:
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.
Right, 1-3 interactions are accounted for within bonded (angle) definitions,
unless you are applying an Urey-Bradley potential.
-Justin
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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