Hi Sikandar,
I'm not sure what you mean by PMF (as a function of what?). IBI (as well
as inverse Monte Carlo) tries to reproduce radial distribution
functions. It therefore tries to derive CG potentials based on the
*structure* of the system. On the other hand, force matching, as you
said, tries to reproduce the forces in the atomistic system. However,
only pair forces are usually taken into account because of the
difficulty to integrate many-body potentials in MD codes. The resulting
CG rdf from a force-matching procedure might thus not necessarily
reproduce the atomistic system because many-body interactions are
neglected. This also means that IBI and FM will likely not give the
exact same results. (Note that while IBI does not reproduce the
many-body interactions either, there is always a way to get a pair
potential that will reproduce a given RDF... I think it's called the
Henderson theorem?)
Best,
Tristan
On 10/07/2010 03:06 PM, Sikandar Mashayak wrote:
Hi
As per my understanding, IBI tries to equate PMF profile in all atom
and CG representation of system. In Force-Matching technique, CG
potential is parameterized such that forces on CG site are reproduced,
does that mean PMF is also matched? And if so, IBI CG and FM CG
potential should be the same, right?
thanks
sikandar
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