michellab / plumed2

Development version of plumed 2
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Exposure #3

Open carajillu opened 5 years ago

carajillu commented 5 years ago

the term exposure_{i} (Eq 7 paper, Eq 19 doc) is a sum over the number of neighbours of grid point i, which means that if we use a finer grid, this term will increase very quickly

jmichel80 commented 5 years ago

CHECK) the exposure score may not be weighted correctly by the volume element of the grid point, meaning the results depend on the grid spacing.