plumed
MFILTER not compatible with AROUND?
It seems that MFILTER is not compatible with AROUND. I used AROUND in MFILTER and then used MFILTER in CONTACT_MATRIX. I found the switching function in MFILTER does not act on the densities calculated by AROUND, instead it acts on "1.0" for every atom. Then the AROUND density is multiplied by the switching function processed "1.0" to get the weight. Thus, the resulting weight is the density times a switching function dependent const, which I do not think is an intuitional behavior. If I do not misunderstand the meaning of MFILTER, sw functions should act on the densities so that they filter out the atoms which have unwished densities. If what I found is the behavior by design, I think it should be stressed in the page of MFILTER in user's manual.
