Make METAD with ADAPTIVE=DIFF compatible with replica exchange

plumed / plumed2

Development version of plumed 2

https://www.plumed.org

GNU Lesser General Public License v3.0

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Make METAD with ADAPTIVE=DIFF compatible with replica exchange #26

Open GiovanniBussi opened 11 years ago

GiovanniBussi commented 11 years ago

This was discussed in #25 and was closed adding a check that crashes the code. It would be nice to implement the possibility to do something inside plumed upon exchange (need to change the MD patch to pass this extra info).

GiovanniBussi commented 10 years ago

I remove this issue from milestone 2.1 as I think it is too difficult to solve it quickly

carlocamilloni commented 1 year ago

would not be enough to reset the fluctuations estimate upon exchange? I think anything else would be utterly complex for such a specific case