Dear Sikandar, FM is trying to reproduce many-body PMF. IBI reproduces two-body PMF. In principle, if you have large enough basis set for FM, it should eventually give you the two-body PMF. However, two-body potentials (sometimes three- and four-body) which are normally used to describe interactions between CG beads often do not form a complete basis set (e.g. water) and hence FM potentials do not reproduce two-body PMF.
You can read more in these papers: http://m.jcp.aip.org/resource/1/jcpsa6/v128/i24/p244114_s1 http://pubs.acs.org/doi/abs/10.1021/ct900369w cheers, Denis On Oct 7, 9:06 pm, Sikandar Mashayak <[email protected]> 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 -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
